5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran

C20H16O3S — CID 45482777

IUPAC5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran
SMILESCc1ccc(-c2ccc3occ(-c4cccc(S(C)=O)c4)c3c2)o1
InChIInChI=1S/C20H16O3S/c1-13-6-8-19(23-13)15-7-9-20-17(11-15)18(12-22-20)14-4-3-5-16(10-14)24(2)21/h3-12H,1-2H3
InChIKeyWWMZPFWZVJIQDB-UHFFFAOYSA-N
MW336.41 g/mol
LogP5.41
Rot. Bonds3

About 5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran

5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran (PubChem CID 45482777) has the molecular formula C20H16O3S and a molecular weight of 336.41 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran
PubChem CID45482777
Molecular FormulaC20H16O3S
Molecular Weight336.41 g/mol
Exact Mass336.08
IUPAC Name5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran
SMILESCc1ccc(-c2ccc3occ(-c4cccc(S(C)=O)c4)c3c2)o1
InChIInChI=1S/C20H16O3S/c1-13-6-8-19(23-13)15-7-9-20-17(11-15)18(12-22-20)14-4-3-5-16(10-14)24(2)21/h3-12H,1-2H3
InChIKeyWWMZPFWZVJIQDB-UHFFFAOYSA-N
XLogP5.41
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.41
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran 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 5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran?
The IUPAC name of 5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran (CID 45482777) is 5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran?
The canonical SMILES for 5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran is Cc1ccc(-c2ccc3occ(-c4cccc(S(C)=O)c4)c3c2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran?
The InChIKey is WWMZPFWZVJIQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3S/c1-13-6-8-19(23-13)15-7-9-20-17(11-15)18(12-22-20)14-4-3-5-16(10-14)24(2)21/h3-12H,1-2H3.
What are the key properties of 5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran?
5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran has a molecular weight of 336.41 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-3-(3-methylsulfinylphenyl)-1-benzofuran is sourced from PubChem (CID 45482777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).