N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

C26H27N3O4S2 — CID 92654435

About N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 92654435) has the molecular formula C26H27N3O4S2 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
• PubChem CID: 92654435
• Molecular Formula: C26H27N3O4S2
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.14
• IUPAC Name: N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
• SMILES: COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2sccc2C)cc1
• InChI: InChI=1S/C26H27N3O4S2/c1-17-13-15-35-23(17)12-14-28-22(16-24(30)27-18-4-8-20(32-2)9-5-18)25(31)29(26(28)34)19-6-10-21(33-3)11-7-19/h4-11,13,15,22H,12,14,16H2,1-3H3,(H,27,30)/t22-/m1/s1
• InChIKey: XZJDRDWYRDESLD-JOCHJYFZSA-N
• XLogP: 4.65
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?

The IUPAC name of N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 92654435) is N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.

What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?

The canonical SMILES for N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCc2sccc2C)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?

The InChIKey is XZJDRDWYRDESLD-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N3O4S2/c1-17-13-15-35-23(17)12-14-28-22(16-24(30)27-18-4-8-20(32-2)9-5-18)25(31)29(26(28)34)19-6-10-21(33-3)11-7-19/h4-11,13,15,22H,12,14,16H2,1-3H3,(H,27,30)/t22-/m1/s1.

What are the key properties of N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?

N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 509.65 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 92654435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).