(E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide

C24H23FN2O3S — CID 6083457

IUPAC(E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc2C)c(C)c1
InChIInChI=1S/C24H23FN2O3S/c1-16-4-12-22(18(3)14-16)27-31(29,30)23-15-21(11-5-17(23)2)26-24(28)13-8-19-6-9-20(25)10-7-19/h4-15,27H,1-3H3,(H,26,28)/b13-8+
InChIKeyKASQKWYUPNRZQV-MDWZMJQESA-N
MW438.52 g/mol
LogP5.20
Rot. Bonds6

About (E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide

(E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 6083457) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is (E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID6083457
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC Name(E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc2C)c(C)c1
InChIInChI=1S/C24H23FN2O3S/c1-16-4-12-22(18(3)14-16)27-31(29,30)23-15-21(11-5-17(23)2)26-24(28)13-8-19-6-9-20(25)10-7-19/h4-15,27H,1-3H3,(H,26,28)/b13-8+
InChIKeyKASQKWYUPNRZQV-MDWZMJQESA-N
XLogP5.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.20
H-Bond Donors ≤ 52
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-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244061
cis-(1R,2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 7762631
ethyl N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]carbamate
CID 7908241
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6128596
N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093007
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 4934055
(E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 54777118
(E)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6180383
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 4666704
(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 40785964

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide (CID 6083457) is (E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide is Cc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc2C)c(C)c1.
What is the InChIKey of (E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is KASQKWYUPNRZQV-MDWZMJQESA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-16-4-12-22(18(3)14-16)27-31(29,30)23-15-21(11-5-17(23)2)26-24(28)13-8-19-6-9-20(25)10-7-19/h4-15,27H,1-3H3,(H,26,28)/b13-8+.
What are the key properties of (E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 438.52 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 6083457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).