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

C24H29FN2O4S — CID 22918924

IUPAC(E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(O)c(F)c1)c1ccc(S(=O)(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C24H29FN2O4S/c1-27(24(29)16-10-18-9-15-23(28)22(25)17-18)20-11-13-21(14-12-20)32(30,31)26-19-7-5-3-2-4-6-8-19/h9-17,19,26,28H,2-8H2,1H3/b16-10+
InChIKeyYEBQSSQDVCEBTH-MHWRWJLKSA-N
MW460.57 g/mol
LogP4.60
Rot. Bonds6

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

(E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide (PubChem CID 22918924) has the molecular formula C24H29FN2O4S and a molecular weight of 460.57 g/mol. Its IUPAC name is (E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide
PubChem CID22918924
Molecular FormulaC24H29FN2O4S
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC Name(E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(O)c(F)c1)c1ccc(S(=O)(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C24H29FN2O4S/c1-27(24(29)16-10-18-9-15-23(28)22(25)17-18)20-11-13-21(14-12-20)32(30,31)26-19-7-5-3-2-4-6-8-19/h9-17,19,26,28H,2-8H2,1H3/b16-10+
InChIKeyYEBQSSQDVCEBTH-MHWRWJLKSA-N
XLogP4.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.60
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-(cyclooctylsulfamoyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide (CID 22918924) is (E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(cyclooctylsulfamoyl)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)NC2CCCCCCC2)cc1.
What is the InChIKey of (E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide?
The InChIKey is YEBQSSQDVCEBTH-MHWRWJLKSA-N. The full InChI is InChI=1S/C24H29FN2O4S/c1-27(24(29)16-10-18-9-15-23(28)22(25)17-18)20-11-13-21(14-12-20)32(30,31)26-19-7-5-3-2-4-6-8-19/h9-17,19,26,28H,2-8H2,1H3/b16-10+.
What are the key properties of (E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide?
(E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide has a molecular weight of 460.57 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(cyclooctylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 22918924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).