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

C23H21FN2O4S — CID 26886402

IUPAC(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)cc2C)cc1
InChIInChI=1S/C23H21FN2O4S/c1-16-15-18(24)10-13-20(16)25-23(27)14-9-17-7-11-19(12-8-17)31(28,29)26-21-5-3-4-6-22(21)30-2/h3-15,26H,1-2H3,(H,25,27)/b14-9+
InChIKeyKISVKSZSEUYBDY-NTEUORMPSA-N
MW440.50 g/mol
LogP4.60
Rot. Bonds7

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

(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 26886402) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is (E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID26886402
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC Name(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)cc2C)cc1
InChIInChI=1S/C23H21FN2O4S/c1-16-15-18(24)10-13-20(16)25-23(27)14-9-17-7-11-19(12-8-17)31(28,29)26-21-5-3-4-6-22(21)30-2/h3-15,26H,1-2H3,(H,25,27)/b14-9+
InChIKeyKISVKSZSEUYBDY-NTEUORMPSA-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-(5-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26696619
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 24635981
(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-N-[(E)-pent-3-enyl]prop-2-enamide
CID 86953157
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235648
(E)-N-[3-(benzenesulfonamido)-4-methylphenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 55705863
4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 9314898
(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368224
(E)-3-(4-fluorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 30393885

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 26886402) is (E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)cc2C)cc1.
What is the InChIKey of (E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is KISVKSZSEUYBDY-NTEUORMPSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-16-15-18(24)10-13-20(16)25-23(27)14-9-17-7-11-19(12-8-17)31(28,29)26-21-5-3-4-6-22(21)30-2/h3-15,26H,1-2H3,(H,25,27)/b14-9+.
What are the key properties of (E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-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-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 26886402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).