2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide

C23H18ClN3O6S2 — CID 4189006

About 2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide

2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 4189006) has the molecular formula C23H18ClN3O6S2 and a molecular weight of 532.00 g/mol. Its IUPAC name is 2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
• PubChem CID: 4189006
• Molecular Formula: C23H18ClN3O6S2
• Molecular Weight: 532.00 g/mol
• Exact Mass: 531.03
• IUPAC Name: 2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
• SMILES: O=C(CN1C(=O)SC(=Cc2ccccc2Cl)C1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
• InChI: InChI=1S/C23H18ClN3O6S2/c24-19-6-2-1-4-15(19)12-20-22(29)27(23(30)34-20)14-21(28)26-16-7-9-18(10-8-16)35(31,32)25-13-17-5-3-11-33-17/h1-12,25H,13-14H2,(H,26,28)
• InChIKey: ODUIYOGSYIOMCW-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 125.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.00
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?

The IUPAC name of 2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide (CID 4189006) is 2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide.

What is the SMILES notation for 2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?

The canonical SMILES for 2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide is O=C(CN1C(=O)SC(=Cc2ccccc2Cl)C1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1.

What is the InChIKey of 2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?

The InChIKey is ODUIYOGSYIOMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O6S2/c24-19-6-2-1-4-15(19)12-20-22(29)27(23(30)34-20)14-21(28)26-16-7-9-18(10-8-16)35(31,32)25-13-17-5-3-11-33-17/h1-12,25H,13-14H2,(H,26,28).

What are the key properties of 2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?

2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 532.00 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4189006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).