N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide

C21H23N3O4S — CID 135673076

IUPACN-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\Cc3ccccc3OC)NC2=O)cc1
InChIInChI=1S/C21H23N3O4S/c1-3-28-16-10-8-15(9-11-16)23-19(25)12-18-20(26)24-21(29-18)22-13-14-6-4-5-7-17(14)27-2/h4-11,18H,3,12-13H2,1-2H3,(H,23,25)(H,22,24,26)/t18-/m0/s1
InChIKeyVDHYHAPZJAASDK-SFHVURJKSA-N
MW413.50 g/mol
LogP3.21
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135673076) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135673076
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@@H]2S/C(=N\Cc3ccccc3OC)NC2=O)cc1
InChIInChI=1S/C21H23N3O4S/c1-3-28-16-10-8-15(9-11-16)23-19(25)12-18-20(26)24-21(29-18)22-13-14-6-4-5-7-17(14)27-2/h4-11,18H,3,12-13H2,1-2H3,(H,23,25)(H,22,24,26)/t18-/m0/s1
InChIKeyVDHYHAPZJAASDK-SFHVURJKSA-N
XLogP3.21
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-[(5R)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836367
N-(4-ethoxyphenyl)-2-[(2Z)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135422532
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135456969
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135761147
2-[(5R)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135691912
N-(4-ethoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220298
N-(4-ethoxyphenyl)-2-[(2Z,5R)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136661837
2-[(5S)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135725303
2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide
CID 135692048
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 135673145
2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135692217
N-(4-butoxyphenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135764192

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135673076) is N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCOc1ccc(NC(=O)C[C@@H]2S/C(=N\Cc3ccccc3OC)NC2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is VDHYHAPZJAASDK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-3-28-16-10-8-15(9-11-16)23-19(25)12-18-20(26)24-21(29-18)22-13-14-6-4-5-7-17(14)27-2/h4-11,18H,3,12-13H2,1-2H3,(H,23,25)(H,22,24,26)/t18-/m0/s1.
What are the key properties of N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(5S)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135673076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).