N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide

C26H20Cl2N4O2S — CID 133156920

About N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide

N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide (PubChem CID 133156920) has the molecular formula C26H20Cl2N4O2S and a molecular weight of 523.45 g/mol. Its IUPAC name is N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
• PubChem CID: 133156920
• Molecular Formula: C26H20Cl2N4O2S
• Molecular Weight: 523.45 g/mol
• Exact Mass: 522.07
• IUPAC Name: N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1
• InChI: InChI=1S/C26H20Cl2N4O2S/c1-15(33)30-16-8-10-17(11-9-16)32-25(24(31-26(32)35)20-7-2-3-14-29-20)22-13-12-21(34-22)18-5-4-6-19(27)23(18)28/h2-14,24-25H,1H3,(H,30,33)(H,31,35)
• InChIKey: PHEVUAZVSOEJBT-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 70.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.45
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide?

The IUPAC name of N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide (CID 133156920) is N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide.

What is the SMILES notation for N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide?

The canonical SMILES for N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(-c3cccc(Cl)c3Cl)o2)cc1.

What is the InChIKey of N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide?

The InChIKey is PHEVUAZVSOEJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N4O2S/c1-15(33)30-16-8-10-17(11-9-16)32-25(24(31-26(32)35)20-7-2-3-14-29-20)22-13-12-21(34-22)18-5-4-6-19(27)23(18)28/h2-14,24-25H,1H3,(H,30,33)(H,31,35).

What are the key properties of N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide?

N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide has a molecular weight of 523.45 g/mol, XLogP of 6.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 133156920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).