2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide

C19H21NO3S — CID 71846487

IUPAC2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide
SMILESCc1ccc(C=CS(=O)(=O)NC(C)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3S/c1-15-8-10-17(11-9-15)12-13-24(22,23)20-16(2)14-19(21)18-6-4-3-5-7-18/h3-13,16,20H,14H2,1-2H3
InChIKeyKXHBXWVNPKJOKB-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.55
Rot. Bonds7

About 2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide

2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide (PubChem CID 71846487) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide
PubChem CID71846487
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide
SMILESCc1ccc(C=CS(=O)(=O)NC(C)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3S/c1-15-8-10-17(11-9-15)12-13-24(22,23)20-16(2)14-19(21)18-6-4-3-5-7-18/h3-13,16,20H,14H2,1-2H3
InChIKeyKXHBXWVNPKJOKB-UHFFFAOYSA-N
XLogP3.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide 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-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
CID 71873114
phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 71954263
(E)-N-[1-(furan-2-yl)propan-2-yl]-2-(4-methylphenyl)ethenesulfonamide
CID 71796423
(E,3S)-3-(hydroxymethyl)-5-(4-methylphenyl)-1-phenylpent-4-en-1-one
CID 101476658
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoate
CID 42912941
N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 102527600
cyanomethyl (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 8849192
1-[(E)-2-benzylsulfonylethenyl]-4-methylbenzene
CID 13164860
[2-(4-chlorophenyl)-2-oxoethyl] (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
CID 18283563
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide?
The IUPAC name of 2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide (CID 71846487) is 2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide is Cc1ccc(C=CS(=O)(=O)NC(C)CC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide?
The InChIKey is KXHBXWVNPKJOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-15-8-10-17(11-9-15)12-13-24(22,23)20-16(2)14-19(21)18-6-4-3-5-7-18/h3-13,16,20H,14H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide?
2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(4-oxo-4-phenylbutan-2-yl)ethenesulfonamide is sourced from PubChem (CID 71846487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).