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

C29H28N2O3S — CID 92677777

IUPAC2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@H](NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2O3S/c1-22-17-19-25(20-18-22)29(24-12-5-3-6-13-24)30-28(32)21-31(27-16-10-9-11-23(27)2)35(33,34)26-14-7-4-8-15-26/h3-20,29H,21H2,1-2H3,(H,30,32)/t29-/m1/s1
InChIKeyKAKHUAAFHRKNHB-GDLZYMKVSA-N
MW484.62 g/mol
LogP5.40
Rot. Bonds8

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

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide (PubChem CID 92677777) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
PubChem CID92677777
Molecular FormulaC29H28N2O3S
Molecular Weight484.62 g/mol
Exact Mass484.18
IUPAC Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc([C@H](NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2O3S/c1-22-17-19-25(20-18-22)29(24-12-5-3-6-13-24)30-28(32)21-31(27-16-10-9-11-23(27)2)35(33,34)26-14-7-4-8-15-26/h3-20,29H,21H2,1-2H3,(H,30,32)/t29-/m1/s1
InChIKeyKAKHUAAFHRKNHB-GDLZYMKVSA-N
XLogP5.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30304751
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305110
2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30303573
N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305747
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43897308
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672852
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305246
N-(2,4-dimethylpentan-3-yl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2283020
N-[(2R)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125074087
N-[(2S)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 100562663
N-[(2R)-butan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 7441929

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide (CID 92677777) is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide is Cc1ccc([C@H](NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is KAKHUAAFHRKNHB-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-22-17-19-25(20-18-22)29(24-12-5-3-6-13-24)30-28(32)21-31(27-16-10-9-11-23(27)2)35(33,34)26-14-7-4-8-15-26/h3-20,29H,21H2,1-2H3,(H,30,32)/t29-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide?
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 484.62 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 92677777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).