(E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide

C24H21Cl2NO3S — CID 19211810

IUPAC(E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)/C=C/c2ccc(Cl)cc2Cl)c2cccc(C)c2C)cc1
InChIInChI=1S/C24H21Cl2NO3S/c1-16-7-12-21(13-8-16)31(29,30)27(23-6-4-5-17(2)18(23)3)24(28)14-10-19-9-11-20(25)15-22(19)26/h4-15H,1-3H3/b14-10+
InChIKeyJXTIEUAYAQJBKH-GXDHUFHOSA-N
MW474.41 g/mol
LogP6.35
Rot. Bonds5

About (E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide (PubChem CID 19211810) has the molecular formula C24H21Cl2NO3S and a molecular weight of 474.41 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
PubChem CID19211810
Molecular FormulaC24H21Cl2NO3S
Molecular Weight474.41 g/mol
Exact Mass473.06
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)/C=C/c2ccc(Cl)cc2Cl)c2cccc(C)c2C)cc1
InChIInChI=1S/C24H21Cl2NO3S/c1-16-7-12-21(13-8-16)31(29,30)27(23-6-4-5-17(2)18(23)3)24(28)14-10-19-9-11-20(25)15-22(19)26/h4-15H,1-3H3/b14-10+
InChIKeyJXTIEUAYAQJBKH-GXDHUFHOSA-N
XLogP6.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.41
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 19211796
(E)-N-(benzenesulfonyl)-3-(2,4-dichlorophenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 19211798
(E)-N-(2,3-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212013
(E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 19212274
(E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide
CID 19212124
N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219319
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 19210967
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 19210991
N-(benzenesulfonyl)-2-chloro-N-(2,3-dimethylphenyl)benzamide
CID 19210697
2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217830
4-(4-chloro-3,5-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19219251
(2,6-dimethylphenyl) 3-(2,4-dichlorophenyl)prop-2-enoate
CID 723876

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide (CID 19211810) is (E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide is Cc1ccc(S(=O)(=O)N(C(=O)/C=C/c2ccc(Cl)cc2Cl)c2cccc(C)c2C)cc1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide?
The InChIKey is JXTIEUAYAQJBKH-GXDHUFHOSA-N. The full InChI is InChI=1S/C24H21Cl2NO3S/c1-16-7-12-21(13-8-16)31(29,30)27(23-6-4-5-17(2)18(23)3)24(28)14-10-19-9-11-20(25)15-22(19)26/h4-15H,1-3H3/b14-10+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide has a molecular weight of 474.41 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide is sourced from PubChem (CID 19211810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).