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

C34H27N3O5S — CID 2068629

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

(2Z)-2-cyano-N-(2-methoxyphenyl)-2-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 2068629) has the molecular formula C34H27N3O5S and a molecular weight of 589.67 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(2-methoxyphenyl)-2-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-N-(2-methoxyphenyl)-2-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 2068629
• Molecular Formula: C34H27N3O5S
• Molecular Weight: 589.67 g/mol
• Exact Mass: 589.17
• IUPAC Name: (2Z)-2-cyano-N-(2-methoxyphenyl)-2-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: COc1ccccc1NC(=O)/C(C#N)=c1\s/c(=C\c2ccc(OCc3ccccc3)c(OC)c2)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C34H27N3O5S/c1-40-28-16-10-9-15-27(28)36-32(38)26(21-35)34-37(25-13-7-4-8-14-25)33(39)31(43-34)20-24-17-18-29(30(19-24)41-2)42-22-23-11-5-3-6-12-23/h3-20H,22H2,1-2H3,(H,36,38)/b31-20-,34-26-
• InChIKey: WCYYZJPHXIYZBM-YODQGMGSSA-N
• XLogP: 4.64
• TPSA: 102.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.67
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-cyano-N-(2-methoxyphenyl)-2-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (CID 2068629) is (2Z)-2-cyano-N-(2-methoxyphenyl)-2-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

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

The canonical SMILES for (2Z)-2-cyano-N-(2-methoxyphenyl)-2-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is COc1ccccc1NC(=O)/C(C#N)=c1\s/c(=C\c2ccc(OCc3ccccc3)c(OC)c2)c(=O)n1-c1ccccc1.

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

The InChIKey is WCYYZJPHXIYZBM-YODQGMGSSA-N. The full InChI is InChI=1S/C34H27N3O5S/c1-40-28-16-10-9-15-27(28)36-32(38)26(21-35)34-37(25-13-7-4-8-14-25)33(39)31(43-34)20-24-17-18-29(30(19-24)41-2)42-22-23-11-5-3-6-12-23/h3-20H,22H2,1-2H3,(H,36,38)/b31-20-,34-26-.

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

(2Z)-2-cyano-N-(2-methoxyphenyl)-2-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 589.67 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-N-(2-methoxyphenyl)-2-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 2068629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).