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

C22H22N2O4S — CID 42992435

IUPAC(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCCc1ccccc1
InChIInChI=1S/C22H22N2O4S/c25-22(23-15-14-18-5-2-1-3-6-18)13-10-19-8-11-21(12-9-19)29(26,27)24-17-20-7-4-16-28-20/h1-13,16,24H,14-15,17H2,(H,23,25)/b13-10+
InChIKeyTZLUDXVHVARNMW-JLHYYAGUSA-N
MW410.50 g/mol
LogP3.13
Rot. Bonds9

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

(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide (PubChem CID 42992435) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide
PubChem CID42992435
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCCc1ccccc1
InChIInChI=1S/C22H22N2O4S/c25-22(23-15-14-18-5-2-1-3-6-18)13-10-19-8-11-21(12-9-19)29(26,27)24-17-20-7-4-16-28-20/h1-13,16,24H,14-15,17H2,(H,23,25)/b13-10+
InChIKeyTZLUDXVHVARNMW-JLHYYAGUSA-N
XLogP3.13
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-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

Related Compounds

(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-propylprop-2-enamide
CID 35743980
4-[(E)-3-(2,2-dimethylhydrazinyl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 9163944
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 86951546
(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9214535
(E)-N-cyclohexyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9337836
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate
CID 29169478
(E)-N-benzhydryl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 46546170
(E)-N-(3-fluorophenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9412526
N-[2-(4-chlorophenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9217544
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 5176366
(E)-N-(2-anilino-2-oxoethyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 46425027

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide (CID 42992435) is (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCCc1ccccc1.
What is the InChIKey of (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is TZLUDXVHVARNMW-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H22N2O4S/c25-22(23-15-14-18-5-2-1-3-6-18)13-10-19-8-11-21(12-9-19)29(26,27)24-17-20-7-4-16-28-20/h1-13,16,24H,14-15,17H2,(H,23,25)/b13-10+.
What are the key properties of (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide?
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 410.50 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 42992435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).