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'}

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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).