N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide

C23H15Cl2F2N3O4S — CID 2448314

About N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide

N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide (PubChem CID 2448314) has the molecular formula C23H15Cl2F2N3O4S and a molecular weight of 538.36 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide
• PubChem CID: 2448314
• Molecular Formula: C23H15Cl2F2N3O4S
• Molecular Weight: 538.36 g/mol
• Exact Mass: 537.01
• IUPAC Name: N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide
• SMILES: O=C(CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)Nc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C23H15Cl2F2N3O4S/c24-13-3-8-18(17(25)10-13)28-20(31)12-35-23-29-19(11-16-2-1-9-33-16)21(32)30(23)14-4-6-15(7-5-14)34-22(26)27/h1-11,22H,12H2,(H,28,31)/b19-11+
• InChIKey: IBOLZAFBLRCPRM-YBFXNURJSA-N
• XLogP: 6.30
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.36
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide?

The IUPAC name of N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide (CID 2448314) is N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide.

What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide?

The canonical SMILES for N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide is O=C(CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)Nc1ccc(Cl)cc1Cl.

What is the InChIKey of N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide?

The InChIKey is IBOLZAFBLRCPRM-YBFXNURJSA-N. The full InChI is InChI=1S/C23H15Cl2F2N3O4S/c24-13-3-8-18(17(25)10-13)28-20(31)12-35-23-29-19(11-16-2-1-9-33-16)21(32)30(23)14-4-6-15(7-5-14)34-22(26)27/h1-11,22H,12H2,(H,28,31)/b19-11+.

What are the key properties of N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide?

N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide has a molecular weight of 538.36 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dichlorophenyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 2448314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).