(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide

C23H27FN2O4S — CID 15049730

IUPAC(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(O)c(F)c1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C23H27FN2O4S/c1-26(23(28)15-9-17-8-14-22(27)21(24)16-17)19-10-12-20(13-11-19)31(29,30)25-18-6-4-2-3-5-7-18/h8-16,18,25,27H,2-7H2,1H3/b15-9+
InChIKeyACTKGBRZPSTSDZ-OQLLNIDSSA-N
MW446.54 g/mol
LogP4.21
Rot. Bonds6

About (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide

(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide (PubChem CID 15049730) has the molecular formula C23H27FN2O4S and a molecular weight of 446.54 g/mol. Its IUPAC name is (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide
PubChem CID15049730
Molecular FormulaC23H27FN2O4S
Molecular Weight446.54 g/mol
Exact Mass446.17
IUPAC Name(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(O)c(F)c1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C23H27FN2O4S/c1-26(23(28)15-9-17-8-14-22(27)21(24)16-17)19-10-12-20(13-11-19)31(29,30)25-18-6-4-2-3-5-7-18/h8-16,18,25,27H,2-7H2,1H3/b15-9+
InChIKeyACTKGBRZPSTSDZ-OQLLNIDSSA-N
XLogP4.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371576
(E)-3-(3,4-dihydroxyphenyl)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 86573851
(E)-N-[4-[(3,4-difluorophenyl)sulfamoyl]phenyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 86573884
(E)-3-(3,4-dihydroxyphenyl)-N-[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]prop-2-enamide
CID 86573886
4-[(4-Hydroxyphenyl)methylamino]benzenesulfonamide
CID 28452155
(E)-N-[4-(cyclopentylsulfamoyl)phenyl]-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
CID 15049702
(E)-N-[4-(cyclohexylsulfamoyl)phenyl]-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
CID 15049703
(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
CID 15049704
(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide
CID 15049729
(E)-3-(3,4-dihydroxyphenyl)-N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]prop-2-enamide
CID 86573041
(E)-3-(3,4-dihydroxyphenyl)-N-methyl-N-(4-sulfamoylphenyl)prop-2-enamide
CID 15049699
(E)-3-(3,4-dihydroxyphenyl)-N-methyl-N-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 15049700

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide (CID 15049730) is (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide is CN(C(=O)/C=C/c1ccc(O)c(F)c1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide?
The InChIKey is ACTKGBRZPSTSDZ-OQLLNIDSSA-N. The full InChI is InChI=1S/C23H27FN2O4S/c1-26(23(28)15-9-17-8-14-22(27)21(24)16-17)19-10-12-20(13-11-19)31(29,30)25-18-6-4-2-3-5-7-18/h8-16,18,25,27H,2-7H2,1H3/b15-9+.
What are the key properties of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide?
(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide has a molecular weight of 446.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 15049730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).