2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide

C22H21ClN2O3S — CID 3138284

IUPAC2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide
SMILESO=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C22H21ClN2O3S/c23-19-10-7-11-20(16-19)25(29(27,28)21-12-5-2-6-13-21)17-22(26)24-15-14-18-8-3-1-4-9-18/h1-13,16H,14-15,17H2,(H,24,26)
InChIKeyNMXYWUIWJVWCQE-UHFFFAOYSA-N
MW428.94 g/mol
LogP3.89
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide

2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide (PubChem CID 3138284) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide
PubChem CID3138284
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide
SMILESO=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C22H21ClN2O3S/c23-19-10-7-11-20(16-19)25(29(27,28)21-12-5-2-6-13-21)17-22(26)24-15-14-18-8-3-1-4-9-18/h1-13,16H,14-15,17H2,(H,24,26)
InChIKeyNMXYWUIWJVWCQE-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)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-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-phenylethyl)acetamide
CID 126134625
N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035646
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2-phenylethyl)acetamide
CID 5209703
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51343291
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2267149
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 126029711
2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
CID 21212069
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 126182772
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(furan-2-ylmethyl)acetamide
CID 1337777
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92686228
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767015
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3-chloroanilino]acetamide
CID 1315963

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide (CID 3138284) is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide is O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCc1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide?
The InChIKey is NMXYWUIWJVWCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c23-19-10-7-11-20(16-19)25(29(27,28)21-12-5-2-6-13-21)17-22(26)24-15-14-18-8-3-1-4-9-18/h1-13,16H,14-15,17H2,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide?
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide has a molecular weight of 428.94 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3138284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).