4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide

C18H21NO4S — CID 135006308

IUPAC4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC=O)COCc2ccccc2)cc1
InChIInChI=1S/C18H21NO4S/c1-15-7-9-18(10-8-15)24(21,22)19-17(11-12-20)14-23-13-16-5-3-2-4-6-16/h2-10,12,17,19H,11,13-14H2,1H3/t17-/m0/s1
InChIKeyWAMYITDMCOLCAD-KRWDZBQOSA-N
MW347.44 g/mol
LogP2.45
Rot. Bonds9

About 4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide

4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide (PubChem CID 135006308) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide
PubChem CID135006308
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC=O)COCc2ccccc2)cc1
InChIInChI=1S/C18H21NO4S/c1-15-7-9-18(10-8-15)24(21,22)19-17(11-12-20)14-23-13-16-5-3-2-4-6-16/h2-10,12,17,19H,11,13-14H2,1H3/t17-/m0/s1
InChIKeyWAMYITDMCOLCAD-KRWDZBQOSA-N
XLogP2.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]-4-methylbenzenesulfonamide
CID 101360454
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
4-methyl-N-[(3R,4R)-3-(phenylmethoxymethyl)octan-4-yl]benzenesulfonamide
CID 11361692
N-[(3S,4R)-2,2-dimethyl-4-(phenylmethoxymethyl)octan-3-yl]-4-methylbenzenesulfonamide
CID 11475965
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]-4-phenylmethoxybutyl]amino]ethyl]benzenesulfonamide
CID 23219895
benzyl (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 22215096
4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide
CID 102380276
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide (CID 135006308) is 4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](CC=O)COCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide?
The InChIKey is WAMYITDMCOLCAD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-15-7-9-18(10-8-15)24(21,22)19-17(11-12-20)14-23-13-16-5-3-2-4-6-16/h2-10,12,17,19H,11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide?
4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-4-oxo-1-phenylmethoxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 135006308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).