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

C23H25N3O3S — CID 8715927

IUPAC2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2C2CC2)cc1
InChIInChI=1S/C23H25N3O3S/c1-3-15-8-10-16(11-9-15)24-23-26(17-12-13-17)22(28)20(30-23)14-21(27)25-18-6-4-5-7-19(18)29-2/h4-11,17,20H,3,12-14H2,1-2H3,(H,25,27)/b24-23-/t20-/m1/s1
InChIKeyODKRDFFVFPIVJI-LRVSTDGRSA-N
MW423.54 g/mol
LogP4.38
Rot. Bonds7

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

2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 8715927) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID8715927
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2C2CC2)cc1
InChIInChI=1S/C23H25N3O3S/c1-3-15-8-10-16(11-9-15)24-23-26(17-12-13-17)22(28)20(30-23)14-21(27)25-18-6-4-5-7-19(18)29-2/h4-11,17,20H,3,12-14H2,1-2H3,(H,25,27)/b24-23-/t20-/m1/s1
InChIKeyODKRDFFVFPIVJI-LRVSTDGRSA-N
XLogP4.38
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-cyclopropyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990676
2-[(5R)-3-cyclopropyl-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8716025
2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715924
2-[(5S)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 7974349
2-[(5R)-3-cyclopropyl-2-(2,3-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715573
2-[(5R)-3-cyclopropyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 8715957
2-[(5S)-3-cyclopropyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715610
methyl 4-[[5-[2-(2-methoxyanilino)-2-oxoethyl]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 3886805
2-[3-cyclopentyl-2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42914723
2-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990670
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 42990588
N-(3-chloro-4-methoxyphenyl)-2-(3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 42993771

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (CID 8715927) is 2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is CCc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2C2CC2)cc1.
What is the InChIKey of 2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is ODKRDFFVFPIVJI-LRVSTDGRSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-3-15-8-10-16(11-9-15)24-23-26(17-12-13-17)22(28)20(30-23)14-21(27)25-18-6-4-5-7-19(18)29-2/h4-11,17,20H,3,12-14H2,1-2H3,(H,25,27)/b24-23-/t20-/m1/s1.
What are the key properties of 2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 423.54 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-cyclopropyl-2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 8715927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).