2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide

C22H24N4O5S — CID 168575402

IUPAC2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(C=NN=C3NC(=O)CS3)cc2OCC)cc1
InChIInChI=1S/C22H24N4O5S/c1-3-29-17-8-6-16(7-9-17)24-20(27)13-31-18-10-5-15(11-19(18)30-4-2)12-23-26-22-25-21(28)14-32-22/h5-12H,3-4,13-14H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyOIYNJVADYKKWES-UHFFFAOYSA-N
MW456.52 g/mol
LogP3.05
Rot. Bonds10

About 2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide

2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide (PubChem CID 168575402) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
PubChem CID168575402
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(C=NN=C3NC(=O)CS3)cc2OCC)cc1
InChIInChI=1S/C22H24N4O5S/c1-3-29-17-8-6-16(7-9-17)24-20(27)13-31-18-10-5-15(11-19(18)30-4-2)12-23-26-22-25-21(28)14-32-22/h5-12H,3-4,13-14H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyOIYNJVADYKKWES-UHFFFAOYSA-N
XLogP3.05
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-(3-ethoxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136663997
2-[2-[[4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168621301
N-(4-ethoxyphenyl)-2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383482
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 124549086
2-[2-ethoxy-6-iodo-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 168575493
[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 168575824
2-[(3,5-diethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575366
N'-[(Z)-[3-ethoxy-4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126181039
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 168575411
N'-[(Z)-[3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126270834
benzyl N'-[[3-ethoxy-4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]carbamimidothioate
CID 168613084
methyl 2-[5-bromo-2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]acetate
CID 168575416

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide (CID 168575402) is 2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)COc2ccc(C=NN=C3NC(=O)CS3)cc2OCC)cc1.
What is the InChIKey of 2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is OIYNJVADYKKWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-3-29-17-8-6-16(7-9-17)24-20(27)13-31-18-10-5-15(11-19(18)30-4-2)12-23-26-22-25-21(28)14-32-22/h5-12H,3-4,13-14H2,1-2H3,(H,24,27)(H,25,26,28).
What are the key properties of 2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide?
2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 456.52 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 168575402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).