3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide

C13H14N2O4S — CID 4728896

IUPAC3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1C(=O)CSC1=O
InChIInChI=1S/C13H14N2O4S/c1-19-10-5-3-2-4-9(10)14-11(16)6-7-15-12(17)8-20-13(15)18/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyDUMVHJPDTXCHEM-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.72
Rot. Bonds5

About 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide

3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 4728896) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID4728896
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1C(=O)CSC1=O
InChIInChI=1S/C13H14N2O4S/c1-19-10-5-3-2-4-9(10)14-11(16)6-7-15-12(17)8-20-13(15)18/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyDUMVHJPDTXCHEM-UHFFFAOYSA-N
XLogP1.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide 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

3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093399
[2-(2-methoxyanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8921625
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxyphenyl)propanamide
CID 17446493
3-[(1S,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(2-methoxyphenyl)propanamide
CID 98330413
3-(3-oxo-1,4-benzothiazin-4-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46644184
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
N-(2-methoxyphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148399
N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 16563201
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 46551459

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide (CID 4728896) is 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN1C(=O)CSC1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is DUMVHJPDTXCHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-19-10-5-3-2-4-9(10)14-11(16)6-7-15-12(17)8-20-13(15)18/h2-5H,6-8H2,1H3,(H,14,16).
What are the key properties of 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide?
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 294.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 4728896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).