2-[2-[(Z)-[(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide

C30H22Cl2N4O4S — CID 16627484

About 2-[2-[(Z)-[(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide

2-[2-[(Z)-[(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide (PubChem CID 16627484) has the molecular formula C30H22Cl2N4O4S and a molecular weight of 605.50 g/mol. Its IUPAC name is 2-[2-[(Z)-[(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(Z)-[(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide
• PubChem CID: 16627484
• Molecular Formula: C30H22Cl2N4O4S
• Molecular Weight: 605.50 g/mol
• Exact Mass: 604.07
• IUPAC Name: 2-[2-[(Z)-[(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide
• SMILES: O=C(COc1ccc(Cl)cc1/C=C1\S/C(=N\N=C\c2ccccc2)N(Cc2ccco2)C1=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C30H22Cl2N4O4S/c31-22-8-11-24(12-9-22)34-28(37)19-40-26-13-10-23(32)15-21(26)16-27-29(38)36(18-25-7-4-14-39-25)30(41-27)35-33-17-20-5-2-1-3-6-20/h1-17H,18-19H2,(H,34,37)/b27-16-,33-17+,35-30-
• InChIKey: XKCQICUSABFIKF-XCGHRQKYSA-N
• XLogP: 7.11
• TPSA: 96.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.50
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide?

The IUPAC name of 2-[2-[(Z)-[(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide (CID 16627484) is 2-[2-[(Z)-[(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide.

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

The canonical SMILES for 2-[2-[(Z)-[(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide is O=C(COc1ccc(Cl)cc1/C=C1\S/C(=N\N=C\c2ccccc2)N(Cc2ccco2)C1=O)Nc1ccc(Cl)cc1.

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

The InChIKey is XKCQICUSABFIKF-XCGHRQKYSA-N. The full InChI is InChI=1S/C30H22Cl2N4O4S/c31-22-8-11-24(12-9-22)34-28(37)19-40-26-13-10-23(32)15-21(26)16-27-29(38)36(18-25-7-4-14-39-25)30(41-27)35-33-17-20-5-2-1-3-6-20/h1-17H,18-19H2,(H,34,37)/b27-16-,33-17+,35-30-.

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

2-[2-[(Z)-[(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide has a molecular weight of 605.50 g/mol, XLogP of 7.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(Z)-[(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 16627484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).