(E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide

C23H21FN2O3S — CID 6291291

IUPAC(E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C23H21FN2O3S/c24-20-9-6-19(7-10-20)8-15-23(27)26-21-11-13-22(14-12-21)30(28,29)25-17-16-18-4-2-1-3-5-18/h1-15,25H,16-17H2,(H,26,27)/b15-8+
InChIKeyQXCGMKADJJTZBT-OVCLIPMQSA-N
MW424.50 g/mol
LogP4.00
Rot. Bonds8

About (E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 6291291) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID6291291
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC Name(E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C23H21FN2O3S/c24-20-9-6-19(7-10-20)8-15-23(27)26-21-11-13-22(14-12-21)30(28,29)25-17-16-18-4-2-1-3-5-18/h1-15,25H,16-17H2,(H,26,27)/b15-8+
InChIKeyQXCGMKADJJTZBT-OVCLIPMQSA-N
XLogP4.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.00
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

3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
CID 4932632
N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 4928891
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
4-fluoro-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5191610
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 4934055
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
(E)-3-(2-chlorophenyl)-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 6297348
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
3-(furan-2-yl)-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 3518953
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 17160952

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide (CID 6291291) is (E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is QXCGMKADJJTZBT-OVCLIPMQSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c24-20-9-6-19(7-10-20)8-15-23(27)26-21-11-13-22(14-12-21)30(28,29)25-17-16-18-4-2-1-3-5-18/h1-15,25H,16-17H2,(H,26,27)/b15-8+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 424.50 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 6291291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).