2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide

C16H20N2O5S — CID 43863835

IUPAC2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide
SMILESCCOc1ccc(N2C(=O)SC(CC(=O)NCCCO)C2=O)cc1
InChIInChI=1S/C16H20N2O5S/c1-2-23-12-6-4-11(5-7-12)18-15(21)13(24-16(18)22)10-14(20)17-8-3-9-19/h4-7,13,19H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyQRWJQMHNTCLAHZ-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.54
Rot. Bonds8

About 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide

2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide (PubChem CID 43863835) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide
PubChem CID43863835
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide
SMILESCCOc1ccc(N2C(=O)SC(CC(=O)NCCCO)C2=O)cc1
InChIInChI=1S/C16H20N2O5S/c1-2-23-12-6-4-11(5-7-12)18-15(21)13(24-16(18)22)10-14(20)17-8-3-9-19/h4-7,13,19H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyQRWJQMHNTCLAHZ-UHFFFAOYSA-N
XLogP1.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-ethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide
CID 43826283
N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 43829116
5-[[2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 43863826
2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide
CID 43826301
N-(2-hydroxyethyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 43863934
N-(4-ethoxyphenyl)-2-[(5R)-3-(4-ethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 99806125
N-(4-ethoxyphenyl)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
CID 3740688
(5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1380334
2-[[2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 43863921
N'-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025893
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide (CID 43863835) is 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide is CCOc1ccc(N2C(=O)SC(CC(=O)NCCCO)C2=O)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide?
The InChIKey is QRWJQMHNTCLAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-2-23-12-6-4-11(5-7-12)18-15(21)13(24-16(18)22)10-14(20)17-8-3-9-19/h4-7,13,19H,2-3,8-10H2,1H3,(H,17,20).
What are the key properties of 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide?
2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide has a molecular weight of 352.41 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 43863835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).