N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C20H20N2O5S — CID 43863934

IUPACN-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOc1ccc(N2C(=O)SC(CC(=O)N(CCO)c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H20N2O5S/c1-27-16-9-7-15(8-10-16)22-19(25)17(28-20(22)26)13-18(24)21(11-12-23)14-5-3-2-4-6-14/h2-10,17,23H,11-13H2,1H3
InChIKeyPQSLJQLGTYLTGY-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.68
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 43863934) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID43863934
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCOc1ccc(N2C(=O)SC(CC(=O)N(CCO)c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H20N2O5S/c1-27-16-9-7-15(8-10-16)22-19(25)17(28-20(22)26)13-18(24)21(11-12-23)14-5-3-2-4-6-14/h2-10,17,23H,11-13H2,1H3
InChIKeyPQSLJQLGTYLTGY-UHFFFAOYSA-N
XLogP2.68
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide 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

N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 43829116
2-[[2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 43863921
2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide
CID 43863835
2-[(5R)-3-(4-methoxyphenyl)-4-oxo-2-(2-oxopropylidene)-1,3-thiazolidin-5-yl]acetic acid
CID 7041647
2-hydroxy-5-[[2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 43863925
2-[(5S)-3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42426615
2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
CID 51859703
4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
CID 14872044
2-[3-(4-ethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide
CID 43826283
5-[[2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 43863826
2-[(5R)-2-cyclohexylimino-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6977368
2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 3593657

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 43863934) is N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is COc1ccc(N2C(=O)SC(CC(=O)N(CCO)c3ccccc3)C2=O)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is PQSLJQLGTYLTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-27-16-9-7-15(8-10-16)22-19(25)17(28-20(22)26)13-18(24)21(11-12-23)14-5-3-2-4-6-14/h2-10,17,23H,11-13H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 400.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 43863934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).