2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

C24H17Cl2N3O3S — CID 137081151

About 2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide (PubChem CID 137081151) has the molecular formula C24H17Cl2N3O3S and a molecular weight of 498.39 g/mol. Its IUPAC name is 2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
• PubChem CID: 137081151
• Molecular Formula: C24H17Cl2N3O3S
• Molecular Weight: 498.39 g/mol
• Exact Mass: 497.04
• IUPAC Name: 2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
• SMILES: O=C(COc1ccccc1/C=C1/S/C(=N\c2cccc(Cl)c2Cl)NC1=O)Nc1ccccc1
• InChI: InChI=1S/C24H17Cl2N3O3S/c25-17-10-6-11-18(22(17)26)28-24-29-23(31)20(33-24)13-15-7-4-5-12-19(15)32-14-21(30)27-16-8-2-1-3-9-16/h1-13H,14H2,(H,27,30)(H,28,29,31)/b20-13+
• InChIKey: QGZZURCIUWHXKA-DEDYPNTBSA-N
• XLogP: 5.90
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.39
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide?

The IUPAC name of 2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide (CID 137081151) is 2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide.

What is the SMILES notation for 2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide?

The canonical SMILES for 2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide is O=C(COc1ccccc1/C=C1/S/C(=N\c2cccc(Cl)c2Cl)NC1=O)Nc1ccccc1.

What is the InChIKey of 2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide?

The InChIKey is QGZZURCIUWHXKA-DEDYPNTBSA-N. The full InChI is InChI=1S/C24H17Cl2N3O3S/c25-17-10-6-11-18(22(17)26)28-24-29-23(31)20(33-24)13-15-7-4-5-12-19(15)32-14-21(30)27-16-8-2-1-3-9-16/h1-13H,14H2,(H,27,30)(H,28,29,31)/b20-13+.

What are the key properties of 2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide?

2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide has a molecular weight of 498.39 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 137081151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).