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

C32H27ClN4O6S — CID 19245964

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

N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide (PubChem CID 19245964) has the molecular formula C32H27ClN4O6S and a molecular weight of 631.11 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
• PubChem CID: 19245964
• Molecular Formula: C32H27ClN4O6S
• Molecular Weight: 631.11 g/mol
• Exact Mass: 630.13
• IUPAC Name: N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
• SMILES: COc1ccc(/C=N\N=C2\S/C(=C\c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccco2)cc1OC
• InChI: InChI=1S/C32H27ClN4O6S/c1-40-27-14-9-21(16-28(27)41-2)18-34-36-32-37(19-25-7-5-15-42-25)31(39)29(44-32)17-22-6-3-4-8-26(22)43-20-30(38)35-24-12-10-23(33)11-13-24/h3-18H,19-20H2,1-2H3,(H,35,38)/b29-17-,34-18-,36-32+
• InChIKey: CLFQYPJVICCEHR-OWZRXILBSA-N
• XLogP: 6.47
• TPSA: 114.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.11
LogP ≤ 5	6.47
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 N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide (CID 19245964) is N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide.

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

The canonical SMILES for N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is COc1ccc(/C=N\N=C2\S/C(=C\c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccco2)cc1OC.

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

The InChIKey is CLFQYPJVICCEHR-OWZRXILBSA-N. The full InChI is InChI=1S/C32H27ClN4O6S/c1-40-27-14-9-21(16-28(27)41-2)18-34-36-32-37(19-25-7-5-15-42-25)31(39)29(44-32)17-22-6-3-4-8-26(22)43-20-30(38)35-24-12-10-23(33)11-13-24/h3-18H,19-20H2,1-2H3,(H,35,38)/b29-17-,34-18-,36-32+.

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

N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide has a molecular weight of 631.11 g/mol, XLogP of 6.47, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 19245964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).