2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide

C24H30N4O5S — CID 129055039

About 2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide

2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide (PubChem CID 129055039) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
• PubChem CID: 129055039
• Molecular Formula: C24H30N4O5S
• Molecular Weight: 486.59 g/mol
• Exact Mass: 486.19
• IUPAC Name: 2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
• SMILES: COc1ccc(C(NC(=O)CN2C(=O)CN(C)C2=O)C(=O)Nc2ccc(S(C)(C)C)cc2)cc1
• InChI: InChI=1S/C24H30N4O5S/c1-27-15-21(30)28(24(27)32)14-20(29)26-22(16-6-10-18(33-2)11-7-16)23(31)25-17-8-12-19(13-9-17)34(3,4)5/h6-13,22H,14-15H2,1-5H3,(H,25,31)(H,26,29)
• InChIKey: GKHBTSBHONEGQI-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.59
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?

The IUPAC name of 2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide (CID 129055039) is 2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide.

What is the SMILES notation for 2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?

The canonical SMILES for 2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide is COc1ccc(C(NC(=O)CN2C(=O)CN(C)C2=O)C(=O)Nc2ccc(S(C)(C)C)cc2)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?

The InChIKey is GKHBTSBHONEGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-27-15-21(30)28(24(27)32)14-20(29)26-22(16-6-10-18(33-2)11-7-16)23(31)25-17-8-12-19(13-9-17)34(3,4)5/h6-13,22H,14-15H2,1-5H3,(H,25,31)(H,26,29).

What are the key properties of 2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide?

2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide has a molecular weight of 486.59 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide is sourced from PubChem (CID 129055039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).