N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide

C24H20ClNO3S — CID 171482518

IUPACN-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide
SMILESC=CC(=O)N(c1ccccc1C(=C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H20ClNO3S/c1-4-24(27)26(30(28,29)21-15-9-17(2)10-16-21)23-8-6-5-7-22(23)18(3)19-11-13-20(25)14-12-19/h4-16H,1,3H2,2H3
InChIKeyQBOBPMZNSKECST-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.62
Rot. Bonds6

About N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide

N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide (PubChem CID 171482518) has the molecular formula C24H20ClNO3S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide
PubChem CID171482518
Molecular FormulaC24H20ClNO3S
Molecular Weight437.95 g/mol
Exact Mass437.09
IUPAC NameN-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide
SMILESC=CC(=O)N(c1ccccc1C(=C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H20ClNO3S/c1-4-24(27)26(30(28,29)21-15-9-17(2)10-16-21)23-8-6-5-7-22(23)18(3)19-11-13-20(25)14-12-19/h4-16H,1,3H2,2H3
InChIKeyQBOBPMZNSKECST-UHFFFAOYSA-N
XLogP5.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide 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-[4-chloro-2-(1-phenylethenyl)phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 166064515
N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 166064521
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210994
2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210700
(E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19211810
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210622
1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
CID 138974047
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 19220313
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 19210991
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide
CID 19211584
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19210451
N-[4-bromo-2-(4-chlorobenzoyl)phenyl]-N,4-dimethylbenzenesulfonamide
CID 3963233

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide (CID 171482518) is N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide is C=CC(=O)N(c1ccccc1C(=C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide?
The InChIKey is QBOBPMZNSKECST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO3S/c1-4-24(27)26(30(28,29)21-15-9-17(2)10-16-21)23-8-6-5-7-22(23)18(3)19-11-13-20(25)14-12-19/h4-16H,1,3H2,2H3.
What are the key properties of N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide?
N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide has a molecular weight of 437.95 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide is sourced from PubChem (CID 171482518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).