2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide

C23H24N2O3S — CID 43910382

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-13-15-19(16-14-17)18(2)24-23(26)21-11-7-8-12-22(21)25(3)29(27,28)20-9-5-4-6-10-20/h4-16,18H,1-3H3,(H,24,26)
InChIKeyBMCZLMDZJZBZCQ-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.31
Rot. Bonds6

About 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide

2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 43910382) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
PubChem CID43910382
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-13-15-19(16-14-17)18(2)24-23(26)21-11-7-8-12-22(21)25(3)29(27,28)20-9-5-4-6-10-20/h4-16,18H,1-3H3,(H,24,26)
InChIKeyBMCZLMDZJZBZCQ-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100756077
2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2207753
2-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92673178
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 133165110
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 92674839
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92675422
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 28635604
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 132671490
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612968
2-[benzenesulfonyl(benzyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100632108
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 133165406

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide (CID 43910382) is 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is BMCZLMDZJZBZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-13-15-19(16-14-17)18(2)24-23(26)21-11-7-8-12-22(21)25(3)29(27,28)20-9-5-4-6-10-20/h4-16,18H,1-3H3,(H,24,26).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide?
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 43910382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).