N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C26H26FN3O4S — CID 4917871

About N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 4917871) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• PubChem CID: 4917871
• Molecular Formula: C26H26FN3O4S
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.16
• IUPAC Name: N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• SMILES: CCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2CCc2sccc2C)cc1
• InChI: InChI=1S/C26H26FN3O4S/c1-3-34-21-10-6-19(7-11-21)28-24(31)16-22-25(32)30(20-8-4-18(27)5-9-20)26(33)29(22)14-12-23-17(2)13-15-35-23/h4-11,13,15,22H,3,12,14,16H2,1-2H3,(H,28,31)
• InChIKey: DEWJTZASEHNASF-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
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 N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The IUPAC name of N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 4917871) is N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

What is the SMILES notation for N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The canonical SMILES for N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2CCc2sccc2C)cc1.

What is the InChIKey of N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The InChIKey is DEWJTZASEHNASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c1-3-34-21-10-6-19(7-11-21)28-24(31)16-22-25(32)30(20-8-4-18(27)5-9-20)26(33)29(22)14-12-23-17(2)13-15-35-23/h4-11,13,15,22H,3,12,14,16H2,1-2H3,(H,28,31).

What are the key properties of N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 495.58 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 4917871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).