N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

C26H18ClN3O3S — CID 4296483

About N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 4296483) has the molecular formula C26H18ClN3O3S and a molecular weight of 487.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 4296483
• Molecular Formula: C26H18ClN3O3S
• Molecular Weight: 487.97 g/mol
• Exact Mass: 487.08
• IUPAC Name: N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: COc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2Cl)n(-c2ccccc2)c1=O
• InChI: InChI=1S/C26H18ClN3O3S/c1-33-22-14-8-5-9-17(22)15-23-25(32)30(18-10-3-2-4-11-18)26(34-23)19(16-28)24(31)29-21-13-7-6-12-20(21)27/h2-15H,1H3,(H,29,31)
• InChIKey: MGQVNBRNXZCMCV-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 84.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.97
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (CID 4296483) is N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is COc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2Cl)n(-c2ccccc2)c1=O.

What is the InChIKey of N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is MGQVNBRNXZCMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O3S/c1-33-22-14-8-5-9-17(22)15-23-25(32)30(18-10-3-2-4-11-18)26(34-23)19(16-28)24(31)29-21-13-7-6-12-20(21)27/h2-15H,1H3,(H,29,31).

What are the key properties of N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 487.97 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 4296483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).