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

C27H34N4O4S — CID 92654433

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

N-(4-methoxyphenyl)-2-[(4R)-1-(3-methoxyphenyl)-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 92654433) has the molecular formula C27H34N4O4S and a molecular weight of 510.66 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4R)-1-(3-methoxyphenyl)-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-2-[(4R)-1-(3-methoxyphenyl)-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
• PubChem CID: 92654433
• Molecular Formula: C27H34N4O4S
• Molecular Weight: 510.66 g/mol
• Exact Mass: 510.23
• IUPAC Name: N-(4-methoxyphenyl)-2-[(4R)-1-(3-methoxyphenyl)-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
• SMILES: COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CCCCC2)cc1
• InChI: InChI=1S/C27H34N4O4S/c1-34-22-12-10-20(11-13-22)28-25(32)19-24-26(33)31(21-8-6-9-23(18-21)35-2)27(36)30(24)17-7-16-29-14-4-3-5-15-29/h6,8-13,18,24H,3-5,7,14-17,19H2,1-2H3,(H,28,32)/t24-/m1/s1
• InChIKey: YQSKMUDHFVBICG-XMMPIXPASA-N
• XLogP: 3.91
• TPSA: 74.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.66
LogP ≤ 5	3.91
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-(3-methoxyphenyl)-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?

The IUPAC name of N-(4-methoxyphenyl)-2-[(4R)-1-(3-methoxyphenyl)-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 92654433) is N-(4-methoxyphenyl)-2-[(4R)-1-(3-methoxyphenyl)-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.

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

The canonical SMILES for N-(4-methoxyphenyl)-2-[(4R)-1-(3-methoxyphenyl)-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CCCCC2)cc1.

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

The InChIKey is YQSKMUDHFVBICG-XMMPIXPASA-N. The full InChI is InChI=1S/C27H34N4O4S/c1-34-22-12-10-20(11-13-22)28-25(32)19-24-26(33)31(21-8-6-9-23(18-21)35-2)27(36)30(24)17-7-16-29-14-4-3-5-15-29/h6,8-13,18,24H,3-5,7,14-17,19H2,1-2H3,(H,28,32)/t24-/m1/s1.

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

N-(4-methoxyphenyl)-2-[(4R)-1-(3-methoxyphenyl)-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 510.66 g/mol, XLogP of 3.91, 10 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-(3-methoxyphenyl)-5-oxo-3-(3-piperidin-1-ylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 92654433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).