N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C23H26ClN3O4S — CID 42994042

About N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 42994042) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 42994042
• Molecular Formula: C23H26ClN3O4S
• Molecular Weight: 476.00 g/mol
• Exact Mass: 475.13
• IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
• SMILES: COCCN1C(=O)C(CC(=O)Nc2ccc(OC)c(Cl)c2)S/C1=N\c1c(C)cccc1C
• InChI: InChI=1S/C23H26ClN3O4S/c1-14-6-5-7-15(2)21(14)26-23-27(10-11-30-3)22(29)19(32-23)13-20(28)25-16-8-9-18(31-4)17(24)12-16/h5-9,12,19H,10-11,13H2,1-4H3,(H,25,28)/b26-23-
• InChIKey: DPHFKLMEZIBXMH-RWEWTDSWSA-N
• XLogP: 4.57
• TPSA: 80.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.00
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 42994042) is N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is COCCN1C(=O)C(CC(=O)Nc2ccc(OC)c(Cl)c2)S/C1=N\c1c(C)cccc1C.

What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is DPHFKLMEZIBXMH-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-14-6-5-7-15(2)21(14)26-23-27(10-11-30-3)22(29)19(32-23)13-20(28)25-16-8-9-18(31-4)17(24)12-16/h5-9,12,19H,10-11,13H2,1-4H3,(H,25,28)/b26-23-.

What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?

N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 476.00 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 42994042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).