2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide

C22H21ClN2O3S — CID 1368921

IUPAC2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-16-11-13-18(14-12-16)25(29(27,28)19-7-4-3-5-8-19)15-22(26)24-21-10-6-9-20(23)17(21)2/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyLSMUFSNEUYKRBE-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.79
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide

2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 1368921) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID1368921
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-16-11-13-18(14-12-16)25(29(27,28)19-7-4-3-5-8-19)15-22(26)24-21-10-6-9-20(23)17(21)2/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyLSMUFSNEUYKRBE-UHFFFAOYSA-N
XLogP4.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(5-Chloro-2-methylphenyl)methylsulfonamido)-N-(2,6-difluorophenyl)acetamide
CID 2210370
(2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-dimethylaminobenzyl)amino]-4-methylpentanoic acid amide
CID 59432818
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
4-{[N-(4-chlorobenzyl)-N-(phenylsulfonyl)glycyl]amino}benzamide
CID 1020207
N-(3-Chlorophenyl)-2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetamide
CID 1247140
2-[(2,4-dichlorophenyl)(phenylsulfonyl)amino]-N-(phenylethyl)acetamide
CID 2851193
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
(E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 2672927
2-[(3-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44580808
2-[(2-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44581170

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide (CID 1368921) is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide is Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is LSMUFSNEUYKRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-16-11-13-18(14-12-16)25(29(27,28)19-7-4-3-5-8-19)15-22(26)24-21-10-6-9-20(23)17(21)2/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 428.94 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 1368921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).