3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

C23H15ClN2O4S — CID 108625004

About 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108625004) has the molecular formula C23H15ClN2O4S and a molecular weight of 450.90 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
• PubChem CID: 108625004
• Molecular Formula: C23H15ClN2O4S
• Molecular Weight: 450.90 g/mol
• Exact Mass: 450.04
• IUPAC Name: 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(Cc2cccs2)C1c1ccccn1)c1cc2cc(Cl)ccc2o1
• InChI: InChI=1S/C23H15ClN2O4S/c24-14-6-7-17-13(10-14)11-18(30-17)21(27)19-20(16-5-1-2-8-25-16)26(23(29)22(19)28)12-15-4-3-9-31-15/h1-11,20,28H,12H2
• InChIKey: YQTIGVCBVMVNOA-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 83.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.90
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?

The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (CID 108625004) is 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2cccs2)C1c1ccccn1)c1cc2cc(Cl)ccc2o1.

What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?

The InChIKey is YQTIGVCBVMVNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O4S/c24-14-6-7-17-13(10-14)11-18(30-17)21(27)19-20(16-5-1-2-8-25-16)26(23(29)22(19)28)12-15-4-3-9-31-15/h1-11,20,28H,12H2.

What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?

3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 450.90 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108625004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).