2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide

C38H29Cl2FN4O6S — CID 16628167

About 2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide

2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 16628167) has the molecular formula C38H29Cl2FN4O6S and a molecular weight of 759.64 g/mol. Its IUPAC name is 2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
• PubChem CID: 16628167
• Molecular Formula: C38H29Cl2FN4O6S
• Molecular Weight: 759.64 g/mol
• Exact Mass: 758.12
• IUPAC Name: 2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
• SMILES: COc1cc(/C=N/N=C2\S/C(=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccco2)ccc1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C38H29Cl2FN4O6S/c1-48-34-17-24(8-15-33(34)50-22-26-9-10-27(39)19-31(26)40)20-42-44-38-45(21-30-6-4-16-49-30)37(47)35(52-38)18-25-5-2-3-7-32(25)51-23-36(46)43-29-13-11-28(41)12-14-29/h2-20H,21-23H2,1H3,(H,43,46)/b35-18-,42-20+,44-38-
• InChIKey: KREVGLOFYZYAFX-HSOCVGRHSA-N
• XLogP: 8.84
• TPSA: 114.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.64
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 16628167) is 2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide.

What is the SMILES notation for 2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

The canonical SMILES for 2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide is COc1cc(/C=N/N=C2\S/C(=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)C(=O)N2Cc2ccco2)ccc1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of 2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

The InChIKey is KREVGLOFYZYAFX-HSOCVGRHSA-N. The full InChI is InChI=1S/C38H29Cl2FN4O6S/c1-48-34-17-24(8-15-33(34)50-22-26-9-10-27(39)19-31(26)40)20-42-44-38-45(21-30-6-4-16-49-30)37(47)35(52-38)18-25-5-2-3-7-32(25)51-23-36(46)43-29-13-11-28(41)12-14-29/h2-20H,21-23H2,1H3,(H,43,46)/b35-18-,42-20+,44-38-.

What are the key properties of 2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide?

2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 759.64 g/mol, XLogP of 8.84, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(Z)-[(2Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16628167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).