N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide

C28H36N4O4S — CID 4920105

About N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide

N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 4920105) has the molecular formula C28H36N4O4S and a molecular weight of 524.69 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide
• PubChem CID: 4920105
• Molecular Formula: C28H36N4O4S
• Molecular Weight: 524.69 g/mol
• Exact Mass: 524.25
• IUPAC Name: N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide
• SMILES: CCCN1CCC(CN2C(=S)N(c3ccc(OC)cc3)C(=O)C2CC(=O)Nc2ccc(OC)cc2)CC1
• InChI: InChI=1S/C28H36N4O4S/c1-4-15-30-16-13-20(14-17-30)19-31-25(18-26(33)29-21-5-9-23(35-2)10-6-21)27(34)32(28(31)37)22-7-11-24(36-3)12-8-22/h5-12,20,25H,4,13-19H2,1-3H3,(H,29,33)
• InChIKey: YWUMPEABVLASET-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 74.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.69
LogP ≤ 5	4.16
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-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide?

The IUPAC name of N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 4920105) is N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide.

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

The canonical SMILES for N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide is CCCN1CCC(CN2C(=S)N(c3ccc(OC)cc3)C(=O)C2CC(=O)Nc2ccc(OC)cc2)CC1.

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

The InChIKey is YWUMPEABVLASET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4S/c1-4-15-30-16-13-20(14-17-30)19-31-25(18-26(33)29-21-5-9-23(35-2)10-6-21)27(34)32(28(31)37)22-7-11-24(36-3)12-8-22/h5-12,20,25H,4,13-19H2,1-3H3,(H,29,33).

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

N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 524.69 g/mol, XLogP of 4.16, 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-[1-(4-methoxyphenyl)-5-oxo-3-[(1-propylpiperidin-4-yl)methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 4920105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).