2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide

C32H26Cl2N4O6S — CID 135732432

IUPAC2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
SMILESCCOc1cc(/C=N/N=C2\S/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C32H26Cl2N4O6S/c1-2-42-28-14-20(5-11-26(28)39)17-35-37-32-38(18-25-4-3-13-43-25)31(41)29(45-32)16-21-15-23(34)8-12-27(21)44-19-30(40)36-24-9-6-22(33)7-10-24/h3-17,39H,2,18-19H2,1H3,(H,36,40)/b29-16-,35-17+,37-32-
InChIKeyNFWPUBPDMWNOQC-DYXPZZFKSA-N
MW665.56 g/mol
LogP7.21
Rot. Bonds11

About 2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide

2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide (PubChem CID 135732432) has the molecular formula C32H26Cl2N4O6S and a molecular weight of 665.56 g/mol. Its IUPAC name is 2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
PubChem CID135732432
Molecular FormulaC32H26Cl2N4O6S
Molecular Weight665.56 g/mol
Exact Mass664.10
IUPAC Name2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
SMILESCCOc1cc(/C=N/N=C2\S/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C32H26Cl2N4O6S/c1-2-42-28-14-20(5-11-26(28)39)17-35-37-32-38(18-25-4-3-13-43-25)31(41)29(45-32)16-21-15-23(34)8-12-27(21)44-19-30(40)36-24-9-6-22(33)7-10-24/h3-17,39H,2,18-19H2,1H3,(H,36,40)/b29-16-,35-17+,37-32-
InChIKeyNFWPUBPDMWNOQC-DYXPZZFKSA-N
XLogP7.21
TPSA125.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.56
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 135732429
(2E,5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-2-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 135772921
2-[2-[(Z)-[(2E)-2-[(Z)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide
CID 19245836
2-[2-[(Z)-[(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide
CID 16627484
2-[4-chloro-2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 135772973
N-(4-chlorophenyl)-2-[2-[(Z)-[(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 19245964
2-[2-[(Z)-[(2E)-2-[(Z)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-4-chlorophenoxy]-N-(4-chlorophenyl)acetamide
CID 135773105
2-[4-chloro-2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 135773019
2-[4-chloro-2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-(4-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 135772844
2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 16627780
2-[4-chloro-2-[(Z)-[(2Z)-3-(furan-2-ylmethyl)-4-oxo-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 16627912
2-[2-[(Z)-[(2Z)-2-[(E)-(5-chloro-2-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 135732556

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide (CID 135732432) is 2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide is CCOc1cc(/C=N/N=C2\S/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(Cl)cc3)C(=O)N2Cc2ccco2)ccc1O.
What is the InChIKey of 2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide?
The InChIKey is NFWPUBPDMWNOQC-DYXPZZFKSA-N. The full InChI is InChI=1S/C32H26Cl2N4O6S/c1-2-42-28-14-20(5-11-26(28)39)17-35-37-32-38(18-25-4-3-13-43-25)31(41)29(45-32)16-21-15-23(34)8-12-27(21)44-19-30(40)36-24-9-6-22(33)7-10-24/h3-17,39H,2,18-19H2,1H3,(H,36,40)/b29-16-,35-17+,37-32-.
What are the key properties of 2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide?
2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide has a molecular weight of 665.56 g/mol, XLogP of 7.21, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(Z)-[(2Z)-2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 135732432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).