4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide

C18H22N2O3S — CID 762069

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-14(2)19-18(21)15-10-12-16(13-11-15)20(3)24(22,23)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyJCHCSEXZTHMWAZ-AWEZNQCLSA-N
MW346.45 g/mol
LogP3.04
Rot. Bonds6

About 4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide (PubChem CID 762069) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
PubChem CID762069
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-14(2)19-18(21)15-10-12-16(13-11-15)20(3)24(22,23)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyJCHCSEXZTHMWAZ-AWEZNQCLSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 1296697
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 50795469
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100563895
N-butan-2-yl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 2947855
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 92646480
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 24538311
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 93487645
3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-phenylpropyl]benzamide
CID 92683507
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide (CID 762069) is 4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide is CC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide?
The InChIKey is JCHCSEXZTHMWAZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-14(2)19-18(21)15-10-12-16(13-11-15)20(3)24(22,23)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide is sourced from PubChem (CID 762069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).