(5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one

C24H18O4S — CID 71740088

IUPAC(5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O/C2=C\c2ccccc2)cc1
InChIInChI=1S/C24H18O4S/c1-29(26,27)20-14-12-19(13-15-20)22-21(16-17-8-4-2-5-9-17)28-24(25)23(22)18-10-6-3-7-11-18/h2-16H,1H3/b21-16-
InChIKeyUVEOJGWBIBZULY-PGMHBOJBSA-N
MW402.47 g/mol
LogP4.60
Rot. Bonds4

About (5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one

(5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one (PubChem CID 71740088) has the molecular formula C24H18O4S and a molecular weight of 402.47 g/mol. Its IUPAC name is (5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one
PubChem CID71740088
Molecular FormulaC24H18O4S
Molecular Weight402.47 g/mol
Exact Mass402.09
IUPAC Name(5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O/C2=C\c2ccccc2)cc1
InChIInChI=1S/C24H18O4S/c1-29(26,27)20-14-12-19(13-15-20)22-21(16-17-8-4-2-5-9-17)28-24(25)23(22)18-10-6-3-7-11-18/h2-16H,1H3/b21-16-
InChIKeyUVEOJGWBIBZULY-PGMHBOJBSA-N
XLogP4.60
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one?
The IUPAC name of (5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one (CID 71740088) is (5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one.
What is the SMILES notation for (5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one?
The canonical SMILES for (5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one is CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O/C2=C\c2ccccc2)cc1.
What is the InChIKey of (5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one?
The InChIKey is UVEOJGWBIBZULY-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H18O4S/c1-29(26,27)20-14-12-19(13-15-20)22-21(16-17-8-4-2-5-9-17)28-24(25)23(22)18-10-6-3-7-11-18/h2-16H,1H3/b21-16-.
What are the key properties of (5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one?
(5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one has a molecular weight of 402.47 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one is sourced from PubChem (CID 71740088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).