N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C22H23Cl2N3O3S — CID 3381069

About N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 3381069) has the molecular formula C22H23Cl2N3O3S and a molecular weight of 480.42 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 3381069
• Molecular Formula: C22H23Cl2N3O3S
• Molecular Weight: 480.42 g/mol
• Exact Mass: 479.08
• IUPAC Name: N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
• SMILES: COCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1cc(C)cc(C)c1
• InChI: InChI=1S/C22H23Cl2N3O3S/c1-13-9-14(2)11-15(10-13)25-22-27(7-8-30-3)21(29)18(31-22)12-19(28)26-17-6-4-5-16(23)20(17)24/h4-6,9-11,18H,7-8,12H2,1-3H3,(H,26,28)/b25-22-
• InChIKey: RSFJAZSEVRUGBN-LVWGJNHUSA-N
• XLogP: 5.22
• TPSA: 71.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.42
LogP ≤ 5	5.22
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 N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 3381069) is N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is COCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1cc(C)cc(C)c1.

What is the InChIKey of N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is RSFJAZSEVRUGBN-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3S/c1-13-9-14(2)11-15(10-13)25-22-27(7-8-30-3)21(29)18(31-22)12-19(28)26-17-6-4-5-16(23)20(17)24/h4-6,9-11,18H,7-8,12H2,1-3H3,(H,26,28)/b25-22-.

What are the key properties of N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?

N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 480.42 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 3381069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).