2-[(5Z)-5-[(2-cyclohexyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide

C24H23FN2O3S2 — CID 18808327

About 2-[(5Z)-5-[(2-cyclohexyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide

2-[(5Z)-5-[(2-cyclohexyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 18808327) has the molecular formula C24H23FN2O3S2 and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-[(5Z)-5-[(2-cyclohexyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5Z)-5-[(2-cyclohexyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
• PubChem CID: 18808327
• Molecular Formula: C24H23FN2O3S2
• Molecular Weight: 470.59 g/mol
• Exact Mass: 470.11
• IUPAC Name: 2-[(5Z)-5-[(2-cyclohexyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
• SMILES: O=C(CN1C(=O)/C(=C/c2ccccc2OC2CCCCC2)SC1=S)Nc1ccccc1F
• InChI: InChI=1S/C24H23FN2O3S2/c25-18-11-5-6-12-19(18)26-22(28)15-27-23(29)21(32-24(27)31)14-16-8-4-7-13-20(16)30-17-9-2-1-3-10-17/h4-8,11-14,17H,1-3,9-10,15H2,(H,26,28)/b21-14-
• InChIKey: CWGPHHSIABRMQI-STZFKDTASA-N
• XLogP: 5.38
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.59
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(2-cyclohexyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide?

The IUPAC name of 2-[(5Z)-5-[(2-cyclohexyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide (CID 18808327) is 2-[(5Z)-5-[(2-cyclohexyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide.

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

The canonical SMILES for 2-[(5Z)-5-[(2-cyclohexyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide is O=C(CN1C(=O)/C(=C/c2ccccc2OC2CCCCC2)SC1=S)Nc1ccccc1F.

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

The InChIKey is CWGPHHSIABRMQI-STZFKDTASA-N. The full InChI is InChI=1S/C24H23FN2O3S2/c25-18-11-5-6-12-19(18)26-22(28)15-27-23(29)21(32-24(27)31)14-16-8-4-7-13-20(16)30-17-9-2-1-3-10-17/h4-8,11-14,17H,1-3,9-10,15H2,(H,26,28)/b21-14-.

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

2-[(5Z)-5-[(2-cyclohexyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 470.59 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5Z)-5-[(2-cyclohexyloxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 18808327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).