(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide

C22H25FN2O4S — CID 22918906

IUPAC(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(F)c2)cc1
InChIInChI=1S/C22H25FN2O4S/c1-25(18-5-3-2-4-6-18)30(28,29)19-11-9-17(10-12-19)24-22(27)14-8-16-7-13-21(26)20(23)15-16/h7-15,18,26H,2-6H2,1H3,(H,24,27)/b14-8+
InChIKeyGOGVBVCUOZEMQU-RIYZIHGNSA-N
MW432.52 g/mol
LogP4.14
Rot. Bonds6

About (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide

(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide (PubChem CID 22918906) has the molecular formula C22H25FN2O4S and a molecular weight of 432.52 g/mol. Its IUPAC name is (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide
PubChem CID22918906
Molecular FormulaC22H25FN2O4S
Molecular Weight432.52 g/mol
Exact Mass432.15
IUPAC Name(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(F)c2)cc1
InChIInChI=1S/C22H25FN2O4S/c1-25(18-5-3-2-4-6-18)30(28,29)19-11-9-17(10-12-19)24-22(27)14-8-16-7-13-21(26)20(23)15-16/h7-15,18,26H,2-6H2,1H3,(H,24,27)/b14-8+
InChIKeyGOGVBVCUOZEMQU-RIYZIHGNSA-N
XLogP4.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide (CID 22918906) is (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(F)c2)cc1.
What is the InChIKey of (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide?
The InChIKey is GOGVBVCUOZEMQU-RIYZIHGNSA-N. The full InChI is InChI=1S/C22H25FN2O4S/c1-25(18-5-3-2-4-6-18)30(28,29)19-11-9-17(10-12-19)24-22(27)14-8-16-7-13-21(26)20(23)15-16/h7-15,18,26H,2-6H2,1H3,(H,24,27)/b14-8+.
What are the key properties of (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide?
(E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide has a molecular weight of 432.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-fluoro-4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 22918906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).