2-[4-bromo-2-[(Z)-[(2E)-2-[(Z)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide

C34H32BrN5O6S2 — CID 19246104

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

2-[4-bromo-2-[(Z)-[(2E)-2-[(Z)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 19246104) has the molecular formula C34H32BrN5O6S2 and a molecular weight of 750.70 g/mol. Its IUPAC name is 2-[4-bromo-2-[(Z)-[(2E)-2-[(Z)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-bromo-2-[(Z)-[(2E)-2-[(Z)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
• PubChem CID: 19246104
• Molecular Formula: C34H32BrN5O6S2
• Molecular Weight: 750.70 g/mol
• Exact Mass: 749.10
• IUPAC Name: 2-[4-bromo-2-[(Z)-[(2E)-2-[(Z)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
• SMILES: CC(C)(C)c1ccc(/C=N\N=C2\S/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2Cc2ccco2)cc1
• InChI: InChI=1S/C34H32BrN5O6S2/c1-34(2,3)24-8-6-22(7-9-24)19-37-39-33-40(20-27-5-4-16-45-27)32(42)30(47-33)18-23-17-25(35)10-15-29(23)46-21-31(41)38-26-11-13-28(14-12-26)48(36,43)44/h4-19H,20-21H2,1-3H3,(H,38,41)(H2,36,43,44)/b30-18-,37-19-,39-33+
• InChIKey: YSTFHGBUIXAMLK-XHVHVUSGSA-N
• XLogP: 6.51
• TPSA: 156.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.70
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
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 2-[4-bromo-2-[(Z)-[(2E)-2-[(Z)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?

The IUPAC name of 2-[4-bromo-2-[(Z)-[(2E)-2-[(Z)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (CID 19246104) is 2-[4-bromo-2-[(Z)-[(2E)-2-[(Z)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.

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

The canonical SMILES for 2-[4-bromo-2-[(Z)-[(2E)-2-[(Z)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is CC(C)(C)c1ccc(/C=N\N=C2\S/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2Cc2ccco2)cc1.

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

The InChIKey is YSTFHGBUIXAMLK-XHVHVUSGSA-N. The full InChI is InChI=1S/C34H32BrN5O6S2/c1-34(2,3)24-8-6-22(7-9-24)19-37-39-33-40(20-27-5-4-16-45-27)32(42)30(47-33)18-23-17-25(35)10-15-29(23)46-21-31(41)38-26-11-13-28(14-12-26)48(36,43)44/h4-19H,20-21H2,1-3H3,(H,38,41)(H2,36,43,44)/b30-18-,37-19-,39-33+.

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

2-[4-bromo-2-[(Z)-[(2E)-2-[(Z)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 750.70 g/mol, XLogP of 6.51, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-bromo-2-[(Z)-[(2E)-2-[(Z)-(4-tert-butylphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 19246104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).