4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide

C18H21NO3S — CID 71199596

IUPAC4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
SMILESCC(=O)[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO3S/c1-14-8-11-17(12-9-14)23(21,22)19-18(15(2)20)13-10-16-6-4-3-5-7-16/h3-9,11-12,18-19H,10,13H2,1-2H3/t18-/m0/s1
InChIKeyICJPLDZAZVVXMU-SFHVURJKSA-N
MW331.44 g/mol
LogP2.86
Rot. Bonds7

About 4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide

4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide (PubChem CID 71199596) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
PubChem CID71199596
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
SMILESCC(=O)[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO3S/c1-14-8-11-17(12-9-14)23(21,22)19-18(15(2)20)13-10-16-6-4-3-5-7-16/h3-9,11-12,18-19H,10,13H2,1-2H3/t18-/m0/s1
InChIKeyICJPLDZAZVVXMU-SFHVURJKSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethylidene-3-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoate
CID 156772253
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide
CID 18513137
N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383
N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide
CID 172561352
ethane;(3S)-3-(methylamino)-5-phenylpentan-2-one
CID 142958851
4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide
CID 171485855
2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 3578188
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
(2R)-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 67588376
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide (CID 71199596) is 4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide is CC(=O)[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide?
The InChIKey is ICJPLDZAZVVXMU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14-8-11-17(12-9-14)23(21,22)19-18(15(2)20)13-10-16-6-4-3-5-7-16/h3-9,11-12,18-19H,10,13H2,1-2H3/t18-/m0/s1.
What are the key properties of 4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide?
4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide is sourced from PubChem (CID 71199596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).