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

C17H20N6O4S — CID 46574911

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

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 46574911) has the molecular formula C17H20N6O4S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• PubChem CID: 46574911
• Molecular Formula: C17H20N6O4S
• Molecular Weight: 404.45 g/mol
• Exact Mass: 404.13
• IUPAC Name: N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
• SMILES: CCC1(C)NC(=O)N(NC(=O)CSc2nncn2-c2ccccc2OC)C1=O
• InChI: InChI=1S/C17H20N6O4S/c1-4-17(2)14(25)23(15(26)19-17)21-13(24)9-28-16-20-18-10-22(16)11-7-5-6-8-12(11)27-3/h5-8,10H,4,9H2,1-3H3,(H,19,26)(H,21,24)
• InChIKey: RBHBVCLSDZCMET-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 118.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.45
LogP ≤ 5	1.12
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-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 46574911) is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[4-(2-methoxyphenyl)-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-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?

The canonical SMILES for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCC1(C)NC(=O)N(NC(=O)CSc2nncn2-c2ccccc2OC)C1=O.

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

The InChIKey is RBHBVCLSDZCMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O4S/c1-4-17(2)14(25)23(15(26)19-17)21-13(24)9-28-16-20-18-10-22(16)11-7-5-6-8-12(11)27-3/h5-8,10H,4,9H2,1-3H3,(H,19,26)(H,21,24).

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

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 404.45 g/mol, XLogP of 1.12, 7 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-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 46574911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).