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

C20H21N3O4S — CID 135427531

IUPAC2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCOc1ccc(/N=C2\NC(=O)C(CC(=O)Nc3ccc(OC)cc3)S2)cc1
InChIInChI=1S/C20H21N3O4S/c1-3-27-16-10-6-14(7-11-16)22-20-23-19(25)17(28-20)12-18(24)21-13-4-8-15(26-2)9-5-13/h4-11,17H,3,12H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyFGEZFZOUGDUCEK-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.34
Rot. Bonds7

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

2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 135427531) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID135427531
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCOc1ccc(/N=C2\NC(=O)C(CC(=O)Nc3ccc(OC)cc3)S2)cc1
InChIInChI=1S/C20H21N3O4S/c1-3-27-16-10-6-14(7-11-16)22-20-23-19(25)17(28-20)12-18(24)21-13-4-8-15(26-2)9-5-13/h4-11,17H,3,12H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyFGEZFZOUGDUCEK-UHFFFAOYSA-N
XLogP3.34
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide (CID 135427531) is 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide is CCOc1ccc(/N=C2\NC(=O)C(CC(=O)Nc3ccc(OC)cc3)S2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is FGEZFZOUGDUCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-3-27-16-10-6-14(7-11-16)22-20-23-19(25)17(28-20)12-18(24)21-13-4-8-15(26-2)9-5-13/h4-11,17H,3,12H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide?
2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 399.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 135427531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).