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

C35H35N5O8S2 — CID 16628427

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

2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 16628427) has the molecular formula C35H35N5O8S2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
• PubChem CID: 16628427
• Molecular Formula: C35H35N5O8S2
• Molecular Weight: 717.83 g/mol
• Exact Mass: 717.19
• IUPAC Name: 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
• SMILES: COc1cc(/C=N/N=C2\S/C(=C\c3ccccc3OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2Cc2ccco2)ccc1OCC(C)C
• InChI: InChI=1S/C35H35N5O8S2/c1-23(2)21-47-30-15-10-24(17-31(30)45-3)19-37-39-35-40(20-27-8-6-16-46-27)34(42)32(49-35)18-25-7-4-5-9-29(25)48-22-33(41)38-26-11-13-28(14-12-26)50(36,43)44/h4-19,23H,20-22H2,1-3H3,(H,38,41)(H2,36,43,44)/b32-18-,37-19+,39-35-
• InChIKey: NGQMQTMVZDNQRT-PSBVGPLNSA-N
• XLogP: 5.49
• TPSA: 175.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	717.83
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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)-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?

The IUPAC name of 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (CID 16628427) is 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-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)-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?

The canonical SMILES for 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is COc1cc(/C=N/N=C2\S/C(=C\c3ccccc3OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C(=O)N2Cc2ccco2)ccc1OCC(C)C.

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

The InChIKey is NGQMQTMVZDNQRT-PSBVGPLNSA-N. The full InChI is InChI=1S/C35H35N5O8S2/c1-23(2)21-47-30-15-10-24(17-31(30)45-3)19-37-39-35-40(20-27-8-6-16-46-27)34(42)32(49-35)18-25-7-4-5-9-29(25)48-22-33(41)38-26-11-13-28(14-12-26)50(36,43)44/h4-19,23H,20-22H2,1-3H3,(H,38,41)(H2,36,43,44)/b32-18-,37-19+,39-35-.

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

2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 717.83 g/mol, XLogP of 5.49, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-2-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 16628427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).