N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

C23H17FN2O4S2 — CID 126176122

About N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 126176122) has the molecular formula C23H17FN2O4S2 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
• PubChem CID: 126176122
• Molecular Formula: C23H17FN2O4S2
• Molecular Weight: 468.53 g/mol
• Exact Mass: 468.06
• IUPAC Name: N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
• SMILES: Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)cc1
• InChI: InChI=1S/C23H17FN2O4S2/c1-14-2-9-18(10-3-14)31-21-11-8-17(30-21)12-19-22(28)26(23(29)32-19)13-20(27)25-16-6-4-15(24)5-7-16/h2-12H,13H2,1H3,(H,25,27)/b19-12-
• InChIKey: SEDZTAOCHSPLLL-UNOMPAQXSA-N
• XLogP: 5.55
• TPSA: 79.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.53
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?

The IUPAC name of N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 126176122) is N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

What is the SMILES notation for N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?

The canonical SMILES for N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)cc1.

What is the InChIKey of N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?

The InChIKey is SEDZTAOCHSPLLL-UNOMPAQXSA-N. The full InChI is InChI=1S/C23H17FN2O4S2/c1-14-2-9-18(10-3-14)31-21-11-8-17(30-21)12-19-22(28)26(23(29)32-19)13-20(27)25-16-6-4-15(24)5-7-16/h2-12H,13H2,1H3,(H,25,27)/b19-12-.

What are the key properties of N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?

N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 468.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-2-[(5Z)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 126176122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).