[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate

C23H20ClNO7S — CID 1191209

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C23H20ClNO7S/c1-30-21-10-4-16(13-22(21)33(28,29)25-14-19-3-2-12-31-19)5-11-23(27)32-15-20(26)17-6-8-18(24)9-7-17/h2-13,25H,14-15H2,1H3/b11-5+
InChIKeyRHRHYRNUWNCIAY-VZUCSPMQSA-N
MW489.93 g/mol
LogP3.86
Rot. Bonds10

About [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate

[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate (PubChem CID 1191209) has the molecular formula C23H20ClNO7S and a molecular weight of 489.93 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
PubChem CID1191209
Molecular FormulaC23H20ClNO7S
Molecular Weight489.93 g/mol
Exact Mass489.06
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C23H20ClNO7S/c1-30-21-10-4-16(13-22(21)33(28,29)25-14-19-3-2-12-31-19)5-11-23(27)32-15-20(26)17-6-8-18(24)9-7-17/h2-13,25H,14-15H2,1H3/b11-5+
InChIKeyRHRHYRNUWNCIAY-VZUCSPMQSA-N
XLogP3.86
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.93
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate 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

5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 39445497
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 7199196
[2-(4-acetamidophenyl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 40580455
[2-(4-chlorophenyl)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 3597568
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4844550
(E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate
CID 9160607
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7867969
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 7880756
(E)-3-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 9034480
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2364886

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate (CID 1191209) is [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate is COc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate?
The InChIKey is RHRHYRNUWNCIAY-VZUCSPMQSA-N. The full InChI is InChI=1S/C23H20ClNO7S/c1-30-21-10-4-16(13-22(21)33(28,29)25-14-19-3-2-12-31-19)5-11-23(27)32-15-20(26)17-6-8-18(24)9-7-17/h2-13,25H,14-15H2,1H3/b11-5+.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate?
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate has a molecular weight of 489.93 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate is sourced from PubChem (CID 1191209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).