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

C38H31Cl2N5O8S2 — CID 19246539

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

2-[2-[(Z)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 19246539) has the molecular formula C38H31Cl2N5O8S2 and a molecular weight of 820.73 g/mol. Its IUPAC name is 2-[2-[(Z)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(Z)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
• PubChem CID: 19246539
• Molecular Formula: C38H31Cl2N5O8S2
• Molecular Weight: 820.73 g/mol
• Exact Mass: 819.10
• IUPAC Name: 2-[2-[(Z)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-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)ccc1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C38H31Cl2N5O8S2/c1-50-34-17-24(8-15-33(34)52-22-26-9-10-27(39)19-31(26)40)20-42-44-38-45(21-29-6-4-16-51-29)37(47)35(54-38)18-25-5-2-3-7-32(25)53-23-36(46)43-28-11-13-30(14-12-28)55(41,48)49/h2-20H,21-23H2,1H3,(H,43,46)(H2,41,48,49)/b35-18-,42-20-,44-38+
• InChIKey: LJKDPGYRVYYVNI-PGHFYELYSA-N
• XLogP: 7.35
• TPSA: 175.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	820.73
LogP ≤ 5	7.35
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)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?

The IUPAC name of 2-[2-[(Z)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide (CID 19246539) is 2-[2-[(Z)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]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-[2-[(Z)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide?

The canonical SMILES for 2-[2-[(Z)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-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)ccc1OCc1ccc(Cl)cc1Cl.

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

The InChIKey is LJKDPGYRVYYVNI-PGHFYELYSA-N. The full InChI is InChI=1S/C38H31Cl2N5O8S2/c1-50-34-17-24(8-15-33(34)52-22-26-9-10-27(39)19-31(26)40)20-42-44-38-45(21-29-6-4-16-51-29)37(47)35(54-38)18-25-5-2-3-7-32(25)53-23-36(46)43-28-11-13-30(14-12-28)55(41,48)49/h2-20H,21-23H2,1H3,(H,43,46)(H2,41,48,49)/b35-18-,42-20-,44-38+.

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

2-[2-[(Z)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 820.73 g/mol, XLogP of 7.35, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(Z)-[(2E)-2-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 19246539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).