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

C17H22N2O4S — CID 43826301

IUPAC2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide
SMILESCCCCc1ccc(N2C(=O)SC(CC(=O)NCCO)C2=O)cc1
InChIInChI=1S/C17H22N2O4S/c1-2-3-4-12-5-7-13(8-6-12)19-16(22)14(24-17(19)23)11-15(21)18-9-10-20/h5-8,14,20H,2-4,9-11H2,1H3,(H,18,21)
InChIKeyPECUJTPEVHILEI-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.10
Rot. Bonds8

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

2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 43826301) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID43826301
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide
SMILESCCCCc1ccc(N2C(=O)SC(CC(=O)NCCO)C2=O)cc1
InChIInChI=1S/C17H22N2O4S/c1-2-3-4-12-5-7-13(8-6-12)19-16(22)14(24-17(19)23)11-15(21)18-9-10-20/h5-8,14,20H,2-4,9-11H2,1H3,(H,18,21)
InChIKeyPECUJTPEVHILEI-UHFFFAOYSA-N
XLogP2.10
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
2-[[2-[3-(4-ethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]terephthalic acid
CID 43863998
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
CID 51859703
(2E)-2-[(5S)-5-[(4-butylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-phenylethyl)acetamide
CID 41066928
N-(2-hydroxy-5-methylphenyl)-2-[3-(4-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 43864102
N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide
CID 23993202
2-[(5S)-3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42426615
3-(4-methylphenyl)-5-[3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]prop-2-enyl]-1,3-thiazolidine-2,4-dione
CID 23996183
3-[[2-[3-(2-ethoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
CID 43863862
5-(4-butylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 5193553

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide (CID 43826301) is 2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide is CCCCc1ccc(N2C(=O)SC(CC(=O)NCCO)C2=O)cc1.
What is the InChIKey of 2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is PECUJTPEVHILEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-2-3-4-12-5-7-13(8-6-12)19-16(22)14(24-17(19)23)11-15(21)18-9-10-20/h5-8,14,20H,2-4,9-11H2,1H3,(H,18,21).
What are the key properties of 2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide?
2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 350.44 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 43826301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).