4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide

C19H24N2O3S — CID 1296697

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-8-15(2)20-19(22)16-11-13-17(14-12-16)21(3)25(23,24)18-9-6-5-7-10-18/h5-7,9-15H,4,8H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyPZVPUBWMXUZGAM-OAHLLOKOSA-N
MW360.48 g/mol
LogP3.43
Rot. Bonds7

About 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide (PubChem CID 1296697) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
PubChem CID1296697
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-8-15(2)20-19(22)16-11-13-17(14-12-16)21(3)25(23,24)18-9-6-5-7-10-18/h5-7,9-15H,4,8H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyPZVPUBWMXUZGAM-OAHLLOKOSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 27211679
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide
CID 133260941
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100563895
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 24538311
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 92646480
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 93487645
5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 50795469
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide (CID 1296697) is 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide is CCC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide?
The InChIKey is PZVPUBWMXUZGAM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-8-15(2)20-19(22)16-11-13-17(14-12-16)21(3)25(23,24)18-9-6-5-7-10-18/h5-7,9-15H,4,8H2,1-3H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.43, 7 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-[(2R)-pentan-2-yl]benzamide is sourced from PubChem (CID 1296697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).