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

C29H27ClN2O3S — CID 30305246

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@H](NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H27ClN2O3S/c1-21-13-16-24(17-14-21)29(23-9-5-3-6-10-23)31-28(33)20-32(25-18-15-22(2)27(30)19-25)36(34,35)26-11-7-4-8-12-26/h3-19,29H,20H2,1-2H3,(H,31,33)/t29-/m1/s1
InChIKeyVOWMPSGNPZOBNU-GDLZYMKVSA-N
MW519.07 g/mol
LogP6.06
Rot. Bonds8

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

2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide (PubChem CID 30305246) has the molecular formula C29H27ClN2O3S and a molecular weight of 519.07 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
PubChem CID30305246
Molecular FormulaC29H27ClN2O3S
Molecular Weight519.07 g/mol
Exact Mass518.14
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@H](NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H27ClN2O3S/c1-21-13-16-24(17-14-21)29(23-9-5-3-6-10-23)31-28(33)20-32(25-18-15-22(2)27(30)19-25)36(34,35)26-11-7-4-8-12-26/h3-19,29H,20H2,1-2H3,(H,31,33)/t29-/m1/s1
InChIKeyVOWMPSGNPZOBNU-GDLZYMKVSA-N
XLogP6.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.07
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-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-chloro-4-fluoroanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 46771213
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30306205
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30305238
2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30303573
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30305594
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43875315
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305110
N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30208372
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
N-[(2S)-butan-2-yl]-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172785
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43885385

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide (CID 30305246) is 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide is Cc1ccc([C@H](NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is VOWMPSGNPZOBNU-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H27ClN2O3S/c1-21-13-16-24(17-14-21)29(23-9-5-3-6-10-23)31-28(33)20-32(25-18-15-22(2)27(30)19-25)36(34,35)26-11-7-4-8-12-26/h3-19,29H,20H2,1-2H3,(H,31,33)/t29-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 519.07 g/mol, XLogP of 6.06, 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-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 30305246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).