2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide

C23H24N2O3S — CID 1203953

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-18(2)24-23(26)21-15-9-10-16-22(21)25(17-19-11-5-3-6-12-19)29(27,28)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3,(H,24,26)
InChIKeySQWIWYJXSJVVJT-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.22
Rot. Bonds7

About 2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide

2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide (PubChem CID 1203953) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
PubChem CID1203953
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-18(2)24-23(26)21-15-9-10-16-22(21)25(17-19-11-5-3-6-12-19)29(27,28)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3,(H,24,26)
InChIKeySQWIWYJXSJVVJT-UHFFFAOYSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(benzyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100632108
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92675422
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
CID 1129961
2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94015821
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94862659
2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide
CID 2271284
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide
CID 1097903
2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 133165070
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46764222
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 99644735
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(1-phenylpropyl)benzamide
CID 43876399
ethyl 2-[[2-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzoate
CID 1365080

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide (CID 1203953) is 2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is SQWIWYJXSJVVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-18(2)24-23(26)21-15-9-10-16-22(21)25(17-19-11-5-3-6-12-19)29(27,28)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3,(H,24,26).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide?
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 408.52 g/mol, XLogP of 4.22, 7 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-propan-2-ylbenzamide is sourced from PubChem (CID 1203953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).