2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide

C24H26FN3O4S2 — CID 51858935

About 2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide

2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 51858935) has the molecular formula C24H26FN3O4S2 and a molecular weight of 503.62 g/mol. Its IUPAC name is 2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
• PubChem CID: 51858935
• Molecular Formula: C24H26FN3O4S2
• Molecular Weight: 503.62 g/mol
• Exact Mass: 503.13
• IUPAC Name: 2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
• SMILES: Cc1ccc(S(=O)(=O)N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCCCC2)cc1
• InChI: InChI=1S/C24H26FN3O4S2/c1-16-7-13-20(14-8-16)34(31,32)27-24-28(19-5-3-2-4-6-19)23(30)21(33-24)15-22(29)26-18-11-9-17(25)10-12-18/h7-14,19,21H,2-6,15H2,1H3,(H,26,29)/t21-/m1/s1
• InChIKey: NTZDSIANLCLCQH-OAQYLSRUSA-N
• XLogP: 4.48
• TPSA: 95.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.62
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide (CID 51858935) is 2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide.

What is the SMILES notation for 2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?

The canonical SMILES for 2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is Cc1ccc(S(=O)(=O)N=C2S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C2CCCCC2)cc1.

What is the InChIKey of 2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?

The InChIKey is NTZDSIANLCLCQH-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26FN3O4S2/c1-16-7-13-20(14-8-16)34(31,32)27-24-28(19-5-3-2-4-6-19)23(30)21(33-24)15-22(29)26-18-11-9-17(25)10-12-18/h7-14,19,21H,2-6,15H2,1H3,(H,26,29)/t21-/m1/s1.

What are the key properties of 2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?

2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 503.62 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 51858935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).