(E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide

C30H27NO3S — CID 19212124

IUPAC(E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)/C(=C/c2ccccc2)c2ccccc2)c2cccc(C)c2C)cc1
InChIInChI=1S/C30H27NO3S/c1-22-17-19-27(20-18-22)35(33,34)31(29-16-10-11-23(2)24(29)3)30(32)28(26-14-8-5-9-15-26)21-25-12-6-4-7-13-25/h4-21H,1-3H3/b28-21+
InChIKeyKOWVMCKMILYGSU-SGWCAAJKSA-N
MW481.62 g/mol
LogP6.57
Rot. Bonds6

About (E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide

(E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide (PubChem CID 19212124) has the molecular formula C30H27NO3S and a molecular weight of 481.62 g/mol. Its IUPAC name is (E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide
PubChem CID19212124
Molecular FormulaC30H27NO3S
Molecular Weight481.62 g/mol
Exact Mass481.17
IUPAC Name(E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)/C(=C/c2ccccc2)c2ccccc2)c2cccc(C)c2C)cc1
InChIInChI=1S/C30H27NO3S/c1-22-17-19-27(20-18-22)35(33,34)31(29-16-10-11-23(2)24(29)3)30(32)28(26-14-8-5-9-15-26)21-25-12-6-4-7-13-25/h4-21H,1-3H3/b28-21+
InChIKeyKOWVMCKMILYGSU-SGWCAAJKSA-N
XLogP6.57
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 19210991
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 19210967
2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217830
N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219319
(E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19211810
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 126031297
N-(benzenesulfonyl)-2-chloro-N-(2,3-dimethylphenyl)benzamide
CID 19210697
(E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 19212274
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 19210498
N-(benzenesulfonyl)-2-bromo-N-(2,3-dimethylphenyl)benzamide
CID 19210750
N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 155490363
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-methyl-3-nitrobenzamide
CID 19219288

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide (CID 19212124) is (E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide is Cc1ccc(S(=O)(=O)N(C(=O)/C(=C/c2ccccc2)c2ccccc2)c2cccc(C)c2C)cc1.
What is the InChIKey of (E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide?
The InChIKey is KOWVMCKMILYGSU-SGWCAAJKSA-N. The full InChI is InChI=1S/C30H27NO3S/c1-22-17-19-27(20-18-22)35(33,34)31(29-16-10-11-23(2)24(29)3)30(32)28(26-14-8-5-9-15-26)21-25-12-6-4-7-13-25/h4-21H,1-3H3/b28-21+.
What are the key properties of (E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide?
(E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide has a molecular weight of 481.62 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19212124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).