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

C23H28N2O4S — CID 15049729

IUPAC(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(O)cc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C23H28N2O4S/c1-25(23(27)17-10-18-8-13-21(26)14-9-18)20-11-15-22(16-12-20)30(28,29)24-19-6-4-2-3-5-7-19/h8-17,19,24,26H,2-7H2,1H3/b17-10+
InChIKeyORJLDDLPUGQMSW-LICLKQGHSA-N
MW428.55 g/mol
LogP4.07
Rot. Bonds6

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

(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide (PubChem CID 15049729) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide
PubChem CID15049729
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(O)cc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C23H28N2O4S/c1-25(23(27)17-10-18-8-13-21(26)14-9-18)20-11-15-22(16-12-20)30(28,29)24-19-6-4-2-3-5-7-19/h8-17,19,24,26H,2-7H2,1H3/b17-10+
InChIKeyORJLDDLPUGQMSW-LICLKQGHSA-N
XLogP4.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.07
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

N-(4-hydroxyphenyl)-4-methyl-2-oxo-1,2-dihydro-6-quinolinesulfonamide
CID 16804868
(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371576
(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-(2,3-dihydro-1H-inden-2-ylsulfamoyl)phenyl]-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
CID 15049705
(E)-N-[4-(2,3-dihydro-1H-inden-1-ylsulfamoyl)phenyl]-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
CID 15049707
(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(3-fluoro-4-hydroxyphenyl)-N-methylprop-2-enamide
CID 15049730
(E)-3-(3,4-dihydroxyphenyl)-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 45269329
(E)-3-(3,4-dihydroxyphenyl)-N-[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]prop-2-enamide
CID 86573041

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide (CID 15049729) is (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide is CN(C(=O)/C=C/c1ccc(O)cc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide?
The InChIKey is ORJLDDLPUGQMSW-LICLKQGHSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-25(23(27)17-10-18-8-13-21(26)14-9-18)20-11-15-22(16-12-20)30(28,29)24-19-6-4-2-3-5-7-19/h8-17,19,24,26H,2-7H2,1H3/b17-10+.
What are the key properties of (E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide?
(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide has a molecular weight of 428.55 g/mol, XLogP of 4.07, 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-(4-hydroxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 15049729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).