(E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide

C23H20FNO3S — CID 19212274

IUPAC(E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCc1cccc(N(C(=O)/C=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C23H20FNO3S/c1-17-7-6-10-22(18(17)2)25(29(27,28)21-8-4-3-5-9-21)23(26)16-13-19-11-14-20(24)15-12-19/h3-16H,1-2H3/b16-13+
InChIKeyCEFMMPBEVYZGBF-DTQAZKPQSA-N
MW409.48 g/mol
LogP4.88
Rot. Bonds5

About (E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 19212274) has the molecular formula C23H20FNO3S and a molecular weight of 409.48 g/mol. Its IUPAC name is (E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID19212274
Molecular FormulaC23H20FNO3S
Molecular Weight409.48 g/mol
Exact Mass409.11
IUPAC Name(E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCc1cccc(N(C(=O)/C=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C23H20FNO3S/c1-17-7-6-10-22(18(17)2)25(29(27,28)21-8-4-3-5-9-21)23(26)16-13-19-11-14-20(24)15-12-19/h3-16H,1-2H3/b16-13+
InChIKeyCEFMMPBEVYZGBF-DTQAZKPQSA-N
XLogP4.88
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.88
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

N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 19210967
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 19210991
(E)-N-(2,3-dimethylphenyl)-3-(3-methoxy-4-propoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19212013
(E)-3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19211810
N-(benzenesulfonyl)-2-chloro-N-(2,3-dimethylphenyl)benzamide
CID 19210697
(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19211692
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 19210498
N-(benzenesulfonyl)-2-bromo-N-(2,3-dimethylphenyl)benzamide
CID 19210750
(E)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonyl-2,3-diphenylprop-2-enamide
CID 19212124
N-(benzenesulfonyl)-N-[(E)-2-(4-fluorophenyl)ethenyl]benzenesulfonamide
CID 132820884
(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 19211834
(2,3-dimethylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6232920

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 19212274) is (E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide is Cc1cccc(N(C(=O)/C=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of (E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is CEFMMPBEVYZGBF-DTQAZKPQSA-N. The full InChI is InChI=1S/C23H20FNO3S/c1-17-7-6-10-22(18(17)2)25(29(27,28)21-8-4-3-5-9-21)23(26)16-13-19-11-14-20(24)15-12-19/h3-16H,1-2H3/b16-13+.
What are the key properties of (E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 409.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 19212274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).