3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide

C19H24N2O3S — CID 132654285

IUPAC3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O3S/c1-4-9-15(2)20-19(22)16-10-8-11-17(14-16)21(3)25(23,24)18-12-6-5-7-13-18/h5-8,10-15H,4,9H2,1-3H3,(H,20,22)
InChIKeyBOTFQHPVAJEVCX-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.43
Rot. Bonds7

About 3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide

3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide (PubChem CID 132654285) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
PubChem CID132654285
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O3S/c1-4-9-15(2)20-19(22)16-10-8-11-17(14-16)21(3)25(23,24)18-12-6-5-7-13-18/h5-8,10-15H,4,9H2,1-3H3,(H,20,22)
InChIKeyBOTFQHPVAJEVCX-UHFFFAOYSA-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-[(2R)-pentan-2-yl]benzamide
CID 1296697
3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 95119363
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144
3-[methyl(phenyl)sulfamoyl]-N-[2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 4230999
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 50795469
3-[methyl(phenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 18532497
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577548
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78857000
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide
CID 133260941
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 132670833

Frequently Asked Questions

What is the IUPAC name of 3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide?
The IUPAC name of 3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide (CID 132654285) is 3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide?
The canonical SMILES for 3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide?
The InChIKey is BOTFQHPVAJEVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-9-15(2)20-19(22)16-10-8-11-17(14-16)21(3)25(23,24)18-12-6-5-7-13-18/h5-8,10-15H,4,9H2,1-3H3,(H,20,22).
What are the key properties of 3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide?
3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide 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 3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 132654285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).