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

C15H24N2O3S — CID 27211679

IUPAC4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-7-12(3)16-15(18)13-8-10-14(11-9-13)17(4)21(19,20)6-2/h8-12H,5-7H2,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyGHWCPMSDFJJSPN-GFCCVEGCSA-N
MW312.44 g/mol
LogP2.39
Rot. Bonds7

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

4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide (PubChem CID 27211679) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
PubChem CID27211679
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-7-12(3)16-15(18)13-8-10-14(11-9-13)17(4)21(19,20)6-2/h8-12H,5-7H2,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyGHWCPMSDFJJSPN-GFCCVEGCSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.39
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
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide
CID 53283300
N-(2-ethylhexyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 133229169
3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 95119363
4-[dimethylsulfamoyl(methyl)amino]-N-(4-phenylbutan-2-yl)benzamide
CID 132763060
4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779
4-acetamido-N-pentan-2-ylbenzamide
CID 2885822
4-[ethylsulfonyl(methyl)amino]-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 125086247
3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
4-(2-methylpropanoylamino)-N-[(2S)-pentan-2-yl]benzamide
CID 977274

Frequently Asked Questions

What is the IUPAC name of 4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide?
The IUPAC name of 4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide (CID 27211679) is 4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide.
What is the SMILES notation for 4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide?
The canonical SMILES for 4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide is CCC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1.
What is the InChIKey of 4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide?
The InChIKey is GHWCPMSDFJJSPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-7-12(3)16-15(18)13-8-10-14(11-9-13)17(4)21(19,20)6-2/h8-12H,5-7H2,1-4H3,(H,16,18)/t12-/m1/s1.
What are the key properties of 4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide?
4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide has a molecular weight of 312.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide is sourced from PubChem (CID 27211679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).