[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate

C17H22N2O5S — CID 55442754

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
SMILESCOc1ccc(CCNC(=O)COC(=O)CCN2CCSC2=O)cc1
InChIInChI=1S/C17H22N2O5S/c1-23-14-4-2-13(3-5-14)6-8-18-15(20)12-24-16(21)7-9-19-10-11-25-17(19)22/h2-5H,6-12H2,1H3,(H,18,20)
InChIKeyVYJHMZIYRJCFRC-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.46
Rot. Bonds9

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate (PubChem CID 55442754) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
PubChem CID55442754
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
SMILESCOc1ccc(CCNC(=O)COC(=O)CCN2CCSC2=O)cc1
InChIInChI=1S/C17H22N2O5S/c1-23-14-4-2-13(3-5-14)6-8-18-15(20)12-24-16(21)7-9-19-10-11-25-17(19)22/h2-5H,6-12H2,1H3,(H,18,20)
InChIKeyVYJHMZIYRJCFRC-UHFFFAOYSA-N
XLogP1.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632012
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18116822
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524322
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7210258
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2376869
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
CID 38860475
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808349
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2371103
methyl 4-[[[2-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]oxyacetyl]amino]methyl]benzoate
CID 8776705
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773410
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9323185
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
CID 55629892

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate (CID 55442754) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate is COc1ccc(CCNC(=O)COC(=O)CCN2CCSC2=O)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate?
The InChIKey is VYJHMZIYRJCFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-23-14-4-2-13(3-5-14)6-8-18-15(20)12-24-16(21)7-9-19-10-11-25-17(19)22/h2-5H,6-12H2,1H3,(H,18,20).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate has a molecular weight of 366.44 g/mol, XLogP of 1.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate is sourced from PubChem (CID 55442754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).