2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C26H25NO4S — CID 108683686

About 2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108683686) has the molecular formula C26H25NO4S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
• PubChem CID: 108683686
• Molecular Formula: C26H25NO4S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.15
• IUPAC Name: 2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
• SMILES: CCc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1
• InChI: InChI=1S/C26H25NO4S/c1-4-17-7-9-18(10-8-17)23-22(24(28)21-6-5-15-32-21)25(29)26(30)27(23)19-11-13-20(14-12-19)31-16(2)3/h5-16,23,29H,4H2,1-3H3
• InChIKey: RXIAVYQUHNZQJO-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The IUPAC name of 2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108683686) is 2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

What is the SMILES notation for 2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The canonical SMILES for 2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CCc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(OC(C)C)cc2)cc1.

What is the InChIKey of 2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The InChIKey is RXIAVYQUHNZQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4S/c1-4-17-7-9-18(10-8-17)23-22(24(28)21-6-5-15-32-21)25(29)26(30)27(23)19-11-13-20(14-12-19)31-16(2)3/h5-16,23,29H,4H2,1-3H3.

What are the key properties of 2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 447.56 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethylphenyl)-4-hydroxy-1-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108683686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).