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

C19H22N2O4S — CID 9214535

IUPAC(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC1CCCC1
InChIInChI=1S/C19H22N2O4S/c22-19(21-16-4-1-2-5-16)12-9-15-7-10-18(11-8-15)26(23,24)20-14-17-6-3-13-25-17/h3,6-13,16,20H,1-2,4-5,14H2,(H,21,22)/b12-9+
InChIKeyLSSWAUSSIHANKM-FMIVXFBMSA-N
MW374.46 g/mol
LogP2.83
Rot. Bonds7

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

(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 9214535) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is (E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID9214535
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC1CCCC1
InChIInChI=1S/C19H22N2O4S/c22-19(21-16-4-1-2-5-16)12-9-15-7-10-18(11-8-15)26(23,24)20-14-17-6-3-13-25-17/h3,6-13,16,20H,1-2,4-5,14H2,(H,21,22)/b12-9+
InChIKeyLSSWAUSSIHANKM-FMIVXFBMSA-N
XLogP2.83
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.83
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

(E)-N-cyclohexyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9337836
4-[(E)-3-(2,2-dimethylhydrazinyl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 9163944
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-propylprop-2-enamide
CID 35743980
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 42992435
[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
(E)-N-(3-fluorophenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9412526
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 86951546
(E)-3-[4-(ethylsulfamoyl)phenyl]-N-[1-(furan-2-carbonyl)piperidin-4-yl]prop-2-enamide
CID 55678336
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide
CID 76879485
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 3248207
N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41088161
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41088163

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide (CID 9214535) is (E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC1CCCC1.
What is the InChIKey of (E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is LSSWAUSSIHANKM-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-19(21-16-4-1-2-5-16)12-9-15-7-10-18(11-8-15)26(23,24)20-14-17-6-3-13-25-17/h3,6-13,16,20H,1-2,4-5,14H2,(H,21,22)/b12-9+.
What are the key properties of (E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide?
(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 374.46 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 9214535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).