2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide

C24H25ClN2O3S — CID 1338503

IUPAC2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(C)c1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-18(2)20-10-14-22(15-11-20)27(31(29,30)23-6-4-3-5-7-23)17-24(28)26-16-19-8-12-21(25)13-9-19/h3-15,18H,16-17H2,1-2H3,(H,26,28)
InChIKeyLAFUCPYRBXZTJE-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.98
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 1338503) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID1338503
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(C)c1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-18(2)20-10-14-22(15-11-20)27(31(29,30)23-6-4-3-5-7-23)17-24(28)26-16-19-8-12-21(25)13-9-19/h3-15,18H,16-17H2,1-2H3,(H,26,28)
InChIKeyLAFUCPYRBXZTJE-UHFFFAOYSA-N
XLogP4.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]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)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 2873656
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 51345003
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 51343251
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30200185
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1142996
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 126033598
N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 1311358
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 92679875
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
CID 133244931

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide (CID 1338503) is 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide is CC(C)c1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is LAFUCPYRBXZTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-18(2)20-10-14-22(15-11-20)27(31(29,30)23-6-4-3-5-7-23)17-24(28)26-16-19-8-12-21(25)13-9-19/h3-15,18H,16-17H2,1-2H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 457.00 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 1338503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).