2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

C23H25N3O3S — CID 8715924

IUPAC2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESC=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N\c1ccc(CC)cc1
InChIInChI=1S/C23H25N3O3S/c1-4-14-26-22(28)20(15-21(27)25-18-8-6-7-9-19(18)29-3)30-23(26)24-17-12-10-16(5-2)11-13-17/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,25,27)/b24-23-/t20-/m0/s1
InChIKeySZKNRTUZDYNNTA-NVWMPKGRSA-N
MW423.54 g/mol
LogP4.40
Rot. Bonds8

About 2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 8715924) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID8715924
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESC=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N\c1ccc(CC)cc1
InChIInChI=1S/C23H25N3O3S/c1-4-14-26-22(28)20(15-21(27)25-18-8-6-7-9-19(18)29-3)30-23(26)24-17-12-10-16(5-2)11-13-17/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,25,27)/b24-23-/t20-/m0/s1
InChIKeySZKNRTUZDYNNTA-NVWMPKGRSA-N
XLogP4.40
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715927
N-(2,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1217959
N-(2-fluorophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 7974369
2-[2-(4-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-ethylphenyl)acetamide
CID 3290366
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 42990588
methyl 2-[[2-[2-(4-ethoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 2936755
2-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990670
N-(2-fluorophenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 7974103
2-[(5R)-2-(4-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 28776539
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-3-[(2-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 25402558
2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 46802720
2-[2-(3,5-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990949

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (CID 8715924) is 2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N\c1ccc(CC)cc1.
What is the InChIKey of 2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is SZKNRTUZDYNNTA-NVWMPKGRSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-4-14-26-22(28)20(15-21(27)25-18-8-6-7-9-19(18)29-3)30-23(26)24-17-12-10-16(5-2)11-13-17/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,25,27)/b24-23-/t20-/m0/s1.
What are the key properties of 2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 423.54 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 8715924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).