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

C28H23N5O6S3 — CID 16627911

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

2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 16627911) has the molecular formula C28H23N5O6S3 and a molecular weight of 621.72 g/mol. Its IUPAC name is 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
• PubChem CID: 16627911
• Molecular Formula: C28H23N5O6S3
• Molecular Weight: 621.72 g/mol
• Exact Mass: 621.08
• IUPAC Name: 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
• SMILES: NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=C2\S/C(=N\N=C\c3cccs3)N(Cc3ccco3)C2=O)cc1
• InChI: InChI=1S/C28H23N5O6S3/c29-42(36,37)23-11-9-20(10-12-23)31-26(34)18-39-24-8-2-1-5-19(24)15-25-27(35)33(17-21-6-3-13-38-21)28(41-25)32-30-16-22-7-4-14-40-22/h1-16H,17-18H2,(H,31,34)(H2,29,36,37)/b25-15-,30-16+,32-28-
• InChIKey: DYKSLYFWXVYLPW-NPUFHZIESA-N
• XLogP: 4.51
• TPSA: 156.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	621.72
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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

The IUPAC name of 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (CID 16627911) is 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.

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

The canonical SMILES for 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=C2\S/C(=N\N=C\c3cccs3)N(Cc3ccco3)C2=O)cc1.

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

The InChIKey is DYKSLYFWXVYLPW-NPUFHZIESA-N. The full InChI is InChI=1S/C28H23N5O6S3/c29-42(36,37)23-11-9-20(10-12-23)31-26(34)18-39-24-8-2-1-5-19(24)15-25-27(35)33(17-21-6-3-13-38-21)28(41-25)32-30-16-22-7-4-14-40-22/h1-16H,17-18H2,(H,31,34)(H2,29,36,37)/b25-15-,30-16+,32-28-.

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

2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 621.72 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 16627911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).