3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide

C26H28N2O5S — CID 76879485

IUPAC3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide
SMILESCOc1ccc(C2(NC(=O)C=Cc3ccc(S(=O)(=O)NCc4ccco4)cc3)CCCC2)cc1
InChIInChI=1S/C26H28N2O5S/c1-32-22-11-9-21(10-12-22)26(16-2-3-17-26)28-25(29)15-8-20-6-13-24(14-7-20)34(30,31)27-19-23-5-4-18-33-23/h4-15,18,27H,2-3,16-17,19H2,1H3,(H,28,29)
InChIKeyOEBKUIQBGMBUAD-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.37
Rot. Bonds9

About 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide

3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide (PubChem CID 76879485) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide
PubChem CID76879485
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide
SMILESCOc1ccc(C2(NC(=O)C=Cc3ccc(S(=O)(=O)NCc4ccco4)cc3)CCCC2)cc1
InChIInChI=1S/C26H28N2O5S/c1-32-22-11-9-21(10-12-22)26(16-2-3-17-26)28-25(29)15-8-20-6-13-24(14-7-20)34(30,31)27-19-23-5-4-18-33-23/h4-15,18,27H,2-3,16-17,19H2,1H3,(H,28,29)
InChIKeyOEBKUIQBGMBUAD-UHFFFAOYSA-N
XLogP4.37
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 25470093
4-[(E)-3-(2,2-dimethylhydrazinyl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 9163944
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4844550
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 35864818
methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate
CID 72685520
(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9214535
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-propylprop-2-enamide
CID 35743980
(E)-N-cyclohexyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9337836
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 86951546
4-[(E)-3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26818010
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 42992435
(E)-N-(3-fluorophenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9412526

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide?
The IUPAC name of 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide (CID 76879485) is 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide?
The canonical SMILES for 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide is COc1ccc(C2(NC(=O)C=Cc3ccc(S(=O)(=O)NCc4ccco4)cc3)CCCC2)cc1.
What is the InChIKey of 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide?
The InChIKey is OEBKUIQBGMBUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-32-22-11-9-21(10-12-22)26(16-2-3-17-26)28-25(29)15-8-20-6-13-24(14-7-20)34(30,31)27-19-23-5-4-18-33-23/h4-15,18,27H,2-3,16-17,19H2,1H3,(H,28,29).
What are the key properties of 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide?
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide has a molecular weight of 480.59 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 76879485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).