N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide

C30H23Cl3N4O3S — CID 18836591

About N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide

N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 18836591) has the molecular formula C30H23Cl3N4O3S and a molecular weight of 625.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 18836591
• Molecular Formula: C30H23Cl3N4O3S
• Molecular Weight: 625.97 g/mol
• Exact Mass: 624.06
• IUPAC Name: N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide
• SMILES: O=C(CC1S/C(=N\N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N(CCc2ccccc2)C1=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C30H23Cl3N4O3S/c31-21-7-9-22(10-8-21)35-28(38)17-27-29(39)37(15-14-19-4-2-1-3-5-19)30(41-27)36-34-18-23-11-13-26(40-23)20-6-12-24(32)25(33)16-20/h1-13,16,18,27H,14-15,17H2,(H,35,38)/b34-18+,36-30-
• InChIKey: QMCCJRIQZBBPFZ-RZSXGXEGSA-N
• XLogP: 7.81
• TPSA: 87.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.97
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_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-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide (CID 18836591) is N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N(CCc2ccccc2)C1=O)Nc1ccc(Cl)cc1.

What is the InChIKey of N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is QMCCJRIQZBBPFZ-RZSXGXEGSA-N. The full InChI is InChI=1S/C30H23Cl3N4O3S/c31-21-7-9-22(10-8-21)35-28(38)17-27-29(39)37(15-14-19-4-2-1-3-5-19)30(41-27)36-34-18-23-11-13-26(40-23)20-6-12-24(32)25(33)16-20/h1-13,16,18,27H,14-15,17H2,(H,35,38)/b34-18+,36-30-.

What are the key properties of N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide?

N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 625.97 g/mol, XLogP of 7.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 18836591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).