3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one

C24H16FNO4S — CID 108661632

About 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one (PubChem CID 108661632) has the molecular formula C24H16FNO4S and a molecular weight of 433.46 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
• PubChem CID: 108661632
• Molecular Formula: C24H16FNO4S
• Molecular Weight: 433.46 g/mol
• Exact Mass: 433.08
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
• SMILES: Cc1ccsc1C1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cccc(F)c1
• InChI: InChI=1S/C24H16FNO4S/c1-13-9-10-31-23(13)20-19(21(27)18-11-14-5-2-3-8-17(14)30-18)22(28)24(29)26(20)16-7-4-6-15(25)12-16/h2-12,20,28H,1H3
• InChIKey: KSDAOCYHVBZODQ-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 70.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.46
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one (CID 108661632) is 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one is Cc1ccsc1C1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1c1cccc(F)c1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?

The InChIKey is KSDAOCYHVBZODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO4S/c1-13-9-10-31-23(13)20-19(21(27)18-11-14-5-2-3-8-17(14)30-18)22(28)24(29)26(20)16-7-4-6-15(25)12-16/h2-12,20,28H,1H3.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one has a molecular weight of 433.46 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108661632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).