4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one

C28H29NO4S — CID 58366028

About 4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one

4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one (PubChem CID 58366028) has the molecular formula C28H29NO4S and a molecular weight of 475.61 g/mol. Its IUPAC name is 4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one
• PubChem CID: 58366028
• Molecular Formula: C28H29NO4S
• Molecular Weight: 475.61 g/mol
• Exact Mass: 475.18
• IUPAC Name: 4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one
• SMILES: COC1=C(C(=O)CC(C)C)C(c2ccccc2OC)N(c2ccc(-c3ccc(C)s3)cc2)C1=O
• InChI: InChI=1S/C28H29NO4S/c1-17(2)16-22(30)25-26(21-8-6-7-9-23(21)32-4)29(28(31)27(25)33-5)20-13-11-19(12-14-20)24-15-10-18(3)34-24/h6-15,17,26H,16H2,1-5H3
• InChIKey: MTUCAQBDKAYILG-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 55.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.61
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one?

The IUPAC name of 4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one (CID 58366028) is 4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one.

What is the SMILES notation for 4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one?

The canonical SMILES for 4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one is COC1=C(C(=O)CC(C)C)C(c2ccccc2OC)N(c2ccc(-c3ccc(C)s3)cc2)C1=O.

What is the InChIKey of 4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one?

The InChIKey is MTUCAQBDKAYILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO4S/c1-17(2)16-22(30)25-26(21-8-6-7-9-23(21)32-4)29(28(31)27(25)33-5)20-13-11-19(12-14-20)24-15-10-18(3)34-24/h6-15,17,26H,16H2,1-5H3.

What are the key properties of 4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one?

4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one has a molecular weight of 475.61 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-2-(2-methoxyphenyl)-3-(3-methylbutanoyl)-1-[4-(5-methylthiophen-2-yl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 58366028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).