2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide

C26H20ClN3O3S — CID 2386340

About 2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide

2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (PubChem CID 2386340) has the molecular formula C26H20ClN3O3S and a molecular weight of 489.98 g/mol. Its IUPAC name is 2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
• PubChem CID: 2386340
• Molecular Formula: C26H20ClN3O3S
• Molecular Weight: 489.98 g/mol
• Exact Mass: 489.09
• IUPAC Name: 2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
• SMILES: O=C(C[C@H]1S/C(=N\c2ccc(Cl)cc2)N(Cc2ccco2)C1=O)Nc1ccc2ccccc2c1
• InChI: InChI=1S/C26H20ClN3O3S/c27-19-8-11-20(12-9-19)29-26-30(16-22-6-3-13-33-22)25(32)23(34-26)15-24(31)28-21-10-7-17-4-1-2-5-18(17)14-21/h1-14,23H,15-16H2,(H,28,31)/b29-26-/t23-/m1/s1
• InChIKey: FUHZREUSMMQOGV-SBGXGKRISA-N
• XLogP: 6.25
• TPSA: 74.91 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	489.98
LogP ≤ 5	6.25
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)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?

The IUPAC name of 2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (CID 2386340) is 2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.

What is the SMILES notation for 2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?

The canonical SMILES for 2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is O=C(C[C@H]1S/C(=N\c2ccc(Cl)cc2)N(Cc2ccco2)C1=O)Nc1ccc2ccccc2c1.

What is the InChIKey of 2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?

The InChIKey is FUHZREUSMMQOGV-SBGXGKRISA-N. The full InChI is InChI=1S/C26H20ClN3O3S/c27-19-8-11-20(12-9-19)29-26-30(16-22-6-3-13-33-22)25(32)23(34-26)15-24(31)28-21-10-7-17-4-1-2-5-18(17)14-21/h1-14,23H,15-16H2,(H,28,31)/b29-26-/t23-/m1/s1.

What are the key properties of 2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?

2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 489.98 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 2386340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).