N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C24H26N6O4S — CID 46607593

About N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 46607593) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 46607593
• Molecular Formula: C24H26N6O4S
• Molecular Weight: 494.58 g/mol
• Exact Mass: 494.17
• IUPAC Name: N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: CCC1(C)NC(=O)N(NC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccc(C)cc2)C1=O
• InChI: InChI=1S/C24H26N6O4S/c1-5-24(3)21(32)30(22(33)25-24)28-19(31)14-35-23-27-26-20(17-8-6-7-9-18(17)34-4)29(23)16-12-10-15(2)11-13-16/h6-13H,5,14H2,1-4H3,(H,25,33)(H,28,31)
• InChIKey: OMLUKDXJLCEAGU-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 118.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.58
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 46607593) is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The canonical SMILES for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCC1(C)NC(=O)N(NC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccc(C)cc2)C1=O.

What is the InChIKey of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The InChIKey is OMLUKDXJLCEAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-5-24(3)21(32)30(22(33)25-24)28-19(31)14-35-23-27-26-20(17-8-6-7-9-18(17)34-4)29(23)16-12-10-15(2)11-13-16/h6-13H,5,14H2,1-4H3,(H,25,33)(H,28,31).

What are the key properties of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 494.58 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 46607593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).