2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide

C28H20Cl2N4O4S2 — CID 16627912

About 2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide

2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide (PubChem CID 16627912) has the molecular formula C28H20Cl2N4O4S2 and a molecular weight of 611.53 g/mol. Its IUPAC name is 2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
• PubChem CID: 16627912
• Molecular Formula: C28H20Cl2N4O4S2
• Molecular Weight: 611.53 g/mol
• Exact Mass: 610.03
• IUPAC Name: 2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
• SMILES: O=C(COc1ccc(Cl)cc1/C=C1\S/C(=N\N=C\c2cccs2)N(Cc2ccco2)C1=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C28H20Cl2N4O4S2/c29-19-5-8-21(9-6-19)32-26(35)17-38-24-10-7-20(30)13-18(24)14-25-27(36)34(16-22-3-1-11-37-22)28(40-25)33-31-15-23-4-2-12-39-23/h1-15H,16-17H2,(H,32,35)/b25-14-,31-15+,33-28-
• InChIKey: IVYKJTDAUYBQIF-PMZKJNBCSA-N
• XLogP: 7.17
• TPSA: 96.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.53
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide?

The IUPAC name of 2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide (CID 16627912) is 2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide.

What is the SMILES notation for 2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide?

The canonical SMILES for 2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide is O=C(COc1ccc(Cl)cc1/C=C1\S/C(=N\N=C\c2cccs2)N(Cc2ccco2)C1=O)Nc1ccc(Cl)cc1.

What is the InChIKey of 2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide?

The InChIKey is IVYKJTDAUYBQIF-PMZKJNBCSA-N. The full InChI is InChI=1S/C28H20Cl2N4O4S2/c29-19-5-8-21(9-6-19)32-26(35)17-38-24-10-7-20(30)13-18(24)14-25-27(36)34(16-22-3-1-11-37-22)28(40-25)33-31-15-23-4-2-12-39-23/h1-15H,16-17H2,(H,32,35)/b25-14-,31-15+,33-28-.

What are the key properties of 2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide?

2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide has a molecular weight of 611.53 g/mol, XLogP of 7.17, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 16627912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).