(E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide

C23H18N2O3S — CID 46703416

IUPAC(E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)NC(=O)/C=C(\c2ccccc2)c2cccc(C#N)c2)cc1
InChIInChI=1S/C23H18N2O3S/c1-17-10-12-21(13-11-17)29(27,28)25-23(26)15-22(19-7-3-2-4-8-19)20-9-5-6-18(14-20)16-24/h2-15H,1H3,(H,25,26)/b22-15+
InChIKeySVBDWBBBZWCLRW-PXLXIMEGSA-N
MW402.48 g/mol
LogP3.80
Rot. Bonds5

About (E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide

(E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide (PubChem CID 46703416) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is (E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide
PubChem CID46703416
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name(E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)NC(=O)/C=C(\c2ccccc2)c2cccc(C#N)c2)cc1
InChIInChI=1S/C23H18N2O3S/c1-17-10-12-21(13-11-17)29(27,28)25-23(26)15-22(19-7-3-2-4-8-19)20-9-5-6-18(14-20)16-24/h2-15H,1H3,(H,25,26)/b22-15+
InChIKeySVBDWBBBZWCLRW-PXLXIMEGSA-N
XLogP3.80
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
(2E,4E)-5-(3-cyanophenyl)-5-(4-methylphenyl)penta-2,4-dienoic acid
CID 87599452
3-cyano-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8797978
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
(Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide
CID 75408061
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
(2S)-N'-tert-butyl-N-[2-[(3-cyanobenzoyl)amino]ethyl]-2-[(4-methylphenyl)sulfonylamino]butanediamide
CID 155531896
N-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978885
(2R)-2-[[4-(3-cyanophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 57397306
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
(E)-3-(3-cyanophenyl)-4-methylpent-2-enoic acid
CID 70094853

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide (CID 46703416) is (E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide is Cc1ccc(S(=O)(=O)NC(=O)/C=C(\c2ccccc2)c2cccc(C#N)c2)cc1.
What is the InChIKey of (E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide?
The InChIKey is SVBDWBBBZWCLRW-PXLXIMEGSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-17-10-12-21(13-11-17)29(27,28)25-23(26)15-22(19-7-3-2-4-8-19)20-9-5-6-18(14-20)16-24/h2-15H,1H3,(H,25,26)/b22-15+.
What are the key properties of (E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide?
(E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide has a molecular weight of 402.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide is sourced from PubChem (CID 46703416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).