2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide

C28H26N2O3S — CID 30303573

IUPAC2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@@H](NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O3S/c1-22-17-19-24(20-18-22)28(23-11-5-2-6-12-23)29-27(31)21-30(25-13-7-3-8-14-25)34(32,33)26-15-9-4-10-16-26/h2-20,28H,21H2,1H3,(H,29,31)/t28-/m0/s1
InChIKeyALKKNVMPRZNMCQ-NDEPHWFRSA-N
MW470.59 g/mol
LogP5.10
Rot. Bonds8

About 2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide

2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide (PubChem CID 30303573) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
PubChem CID30303573
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC Name2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@@H](NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O3S/c1-22-17-19-24(20-18-22)28(23-11-5-2-6-12-23)29-27(31)21-30(25-13-7-3-8-14-25)34(32,33)26-15-9-4-10-16-26/h2-20,28H,21H2,1H3,(H,29,31)/t28-/m0/s1
InChIKeyALKKNVMPRZNMCQ-NDEPHWFRSA-N
XLogP5.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
2-[N-(benzenesulfonyl)anilino]-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43891859
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305741
N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
CID 43886460
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43885385
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92677777
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305246
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30306205
2-[N-(benzenesulfonyl)anilino]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28572138
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 46771213
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30304751

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide (CID 30303573) is 2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide is Cc1ccc([C@@H](NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is ALKKNVMPRZNMCQ-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-22-17-19-24(20-18-22)28(23-11-5-2-6-12-23)29-27(31)21-30(25-13-7-3-8-14-25)34(32,33)26-15-9-4-10-16-26/h2-20,28H,21H2,1H3,(H,29,31)/t28-/m0/s1.
What are the key properties of 2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide?
2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 470.59 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 30303573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).