N-(4-{[(2-methoxyphenyl)amino]sulfonyl}phenyl)acetamide

Base Information

• Chemical Name: N-(4-{[(2-methoxyphenyl)amino]sulfonyl}phenyl)acetamide
• CAS No.: 19838-01-8
• Molecular Formula: C15H16N2O4S
• Molecular Weight: 320.369
• Hs Code.: 2935009090
• European Community (EC) Number: 631-180-4
• DSSTox Substance ID: DTXSID90349915
• Wikidata: Q82125484
• ChEMBL ID: CHEMBL1606392
• Mol file: 19838-01-8.mol

Synonyms:19838-01-8;N-(4-{[(2-methoxyphenyl)amino]sulfonyl}phenyl)acetamide;N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide;4'-(2-Methoxyphenylsulfamoyl)acetanilide;AN-329/40723581;N-{4-[(2-methoxyphenyl)sulfamoyl]phenyl}acetamide;Cambridge id 5243426;Oprea1_495880;Oprea1_591099;MLS000061163;CHEMBL1606392;DTXSID90349915;HMS2445L10;MFCD00032288;STK014394;AKOS000383423;SMR000069231;N-{4-[(2-Methoxyphenyl)sulfamoyl]phenyl};E79406;N-{4-[(2-methoxyanilino)sulfonyl]phenyl}acetamide;SR-01000477830;N4-ACETYL-N1-(2-METHOXYPHENYL)SULFANILAMIDE;SR-01000477830-1;Z30229835

Chemical Property of N-(4-{[(2-methoxyphenyl)amino]sulfonyl}phenyl)acetamide

Chemical Property:

• PSA: 96.37000
• LogP: 4.25770
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 320.08307817
• Heavy Atom Count: 22
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

N4-ACETYL-N1-(2-METHOXYPHENYL)SULFANILAMIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OC

Technology Process of N-(4-{[(2-methoxyphenyl)amino]sulfonyl}phenyl)acetamide

There total 4 articles about N-(4-{[(2-methoxyphenyl)amino]sulfonyl}phenyl)acetamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

2-methoxy-phenylamine (90-04-0) + p-acetylaminobenzenesulfonyl chloride (121-60-8) → N-{4-[(2-methoxyphenyl)sulfamoyl]phenyl}acetamide (19838-01-8)

Guidance literature:

With sodium hydrogencarbonate; In neat (no solvent); at 20 ℃; for 0.5h;

DOI:10.1007/s13738-021-02344-3

Reference yield:

aniline (62-53-3) → N-{4-[(2-methoxyphenyl)sulfamoyl]phenyl}acetamide (19838-01-8)

Guidance literature:

Multi-step reaction with 3 steps

1: neat (no solvent) / 0.33 h / 20 °C

2: chlorosulfonic acid / 0 °C

3: sodium hydrogencarbonate / neat (no solvent) / 0.5 h / 20 °C

With chlorosulfonic acid; sodium hydrogencarbonate; In neat (no solvent);

DOI:10.1007/s13738-021-02344-3

Reference yield:

Acetanilid (103-84-4) → N-{4-[(2-methoxyphenyl)sulfamoyl]phenyl}acetamide (19838-01-8)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorosulfonic acid / 0 °C

2: sodium hydrogencarbonate / neat (no solvent) / 0.5 h / 20 °C

With chlorosulfonic acid; sodium hydrogencarbonate; In neat (no solvent);

DOI:10.1007/s13738-021-02344-3

upstream raw materials:

2-methoxy-phenylamine

p-acetylaminobenzenesulfonyl chloride

aniline

Acetanilid

Downstream raw materials:

4-amino-N-(2-methoxyphenyl)-benzenesulfonamide

Refernces

• 1、 Brzeski, Jakub,Gawrońska, Ma?gorzata,Kazimierczuk, Katarzyna,Kowalik, Mateusz,Makowski, Mariusz. "Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety". . p. 6137 - 6162. Retrieved 2021/09/22.