(E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

C23H21FN2O4S — CID 26666081

IUPAC(E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)Nc3ccc(C)cc3F)cc2)cc1
InChIInChI=1S/C23H21FN2O4S/c1-16-3-13-22(21(24)15-16)25-23(27)14-6-17-4-11-20(12-5-17)31(28,29)26-18-7-9-19(30-2)10-8-18/h3-15,26H,1-2H3,(H,25,27)/b14-6+
InChIKeyNLZXJYJXEXETEA-MKMNVTDBSA-N
MW440.50 g/mol
LogP4.60
Rot. Bonds7

About (E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

(E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 26666081) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is (E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID26666081
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC Name(E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)Nc3ccc(C)cc3F)cc2)cc1
InChIInChI=1S/C23H21FN2O4S/c1-16-3-13-22(21(24)15-16)25-23(27)14-6-17-4-11-20(12-5-17)31(28,29)26-18-7-9-19(30-2)10-8-18/h3-15,26H,1-2H3,(H,25,27)/b14-6+
InChIKeyNLZXJYJXEXETEA-MKMNVTDBSA-N
XLogP4.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4276239
N-(4-methoxyphenyl)-4-[(E)-3-oxo-3-[2-(2,3,5,6-tetrafluorophenyl)hydrazinyl]prop-1-enyl]benzenesulfonamide
CID 2127250
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
(E)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186907
N-(2-aminophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 85314407
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552
[1-(3-methylanilino)-1-oxopropan-2-yl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 42977453
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 7769944
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6128596

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 26666081) is (E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)Nc3ccc(C)cc3F)cc2)cc1.
What is the InChIKey of (E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is NLZXJYJXEXETEA-MKMNVTDBSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-16-3-13-22(21(24)15-16)25-23(27)14-6-17-4-11-20(12-5-17)31(28,29)26-18-7-9-19(30-2)10-8-18/h3-15,26H,1-2H3,(H,25,27)/b14-6+.
What are the key properties of (E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
(E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 440.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 26666081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).