2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide

C30H30N2O3S — CID 94015821

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C30H30N2O3S/c1-22-18-19-27(23(2)20-22)24(3)31-30(33)28-16-10-11-17-29(28)32(21-25-12-6-4-7-13-25)36(34,35)26-14-8-5-9-15-26/h4-20,24H,21H2,1-3H3,(H,31,33)/t24-/m0/s1
InChIKeyUTGJEVFCVWJUKF-DEOSSOPVSA-N
MW498.65 g/mol
LogP6.19
Rot. Bonds8

About 2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide

2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide (PubChem CID 94015821) has the molecular formula C30H30N2O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
PubChem CID94015821
Molecular FormulaC30H30N2O3S
Molecular Weight498.65 g/mol
Exact Mass498.20
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C30H30N2O3S/c1-22-18-19-27(23(2)20-22)24(3)31-30(33)28-16-10-11-17-29(28)32(21-25-12-6-4-7-13-25)36(34,35)26-14-8-5-9-15-26/h4-20,24H,21H2,1-3H3,(H,31,33)/t24-/m0/s1
InChIKeyUTGJEVFCVWJUKF-DEOSSOPVSA-N
XLogP6.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92673178
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92675422
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94018481
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 99644759
2-[benzenesulfonyl(benzyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100632108
2-[[2-[benzyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126116430
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94862659
2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 133165070
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 94864403
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
CID 1129961
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide
CID 1097903

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide (CID 94015821) is 2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide is Cc1ccc([C@H](C)NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide?
The InChIKey is UTGJEVFCVWJUKF-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H30N2O3S/c1-22-18-19-27(23(2)20-22)24(3)31-30(33)28-16-10-11-17-29(28)32(21-25-12-6-4-7-13-25)36(34,35)26-14-8-5-9-15-26/h4-20,24H,21H2,1-3H3,(H,31,33)/t24-/m0/s1.
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide?
2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide has a molecular weight of 498.65 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 94015821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).