2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide

C28H25ClN2O4S — CID 2225967

IUPAC2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25ClN2O4S/c1-35-25-17-15-22(16-18-25)28(21-9-4-2-5-10-21)30-27(32)20-31(24-12-8-11-23(29)19-24)36(33,34)26-13-6-3-7-14-26/h2-19,28H,20H2,1H3,(H,30,32)/t28-/m0/s1
InChIKeyZWWZCOFJLOTJRB-NDEPHWFRSA-N
MW521.04 g/mol
LogP5.45
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide

2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide (PubChem CID 2225967) has the molecular formula C28H25ClN2O4S and a molecular weight of 521.04 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
PubChem CID2225967
Molecular FormulaC28H25ClN2O4S
Molecular Weight521.04 g/mol
Exact Mass520.12
IUPAC Name2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H25ClN2O4S/c1-35-25-17-15-22(16-18-25)28(21-9-4-2-5-10-21)30-27(32)20-31(24-12-8-11-23(29)19-24)36(33,34)26-13-6-3-7-14-26/h2-19,28H,20H2,1H3,(H,30,32)/t28-/m0/s1
InChIKeyZWWZCOFJLOTJRB-NDEPHWFRSA-N
XLogP5.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.04
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43885385
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249804
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30242862
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide
CID 3139129
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 30304078
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43894244
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125085697
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902133
2-(3-chloro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633983
N-tert-butyl-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280450
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-phenylethyl)acetamide
CID 126134625

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide (CID 2225967) is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide is COc1ccc([C@@H](NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The InChIKey is ZWWZCOFJLOTJRB-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H25ClN2O4S/c1-35-25-17-15-22(16-18-25)28(21-9-4-2-5-10-21)30-27(32)20-31(24-12-8-11-23(29)19-24)36(33,34)26-13-6-3-7-14-26/h2-19,28H,20H2,1H3,(H,30,32)/t28-/m0/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide?
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide has a molecular weight of 521.04 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 2225967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).