N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C13H14N2O3S — CID 9095755

IUPACN-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CSCC2=O)c1
InChIInChI=1S/C13H14N2O3S/c1-9(16)10-3-2-4-11(5-10)14-12(17)6-15-8-19-7-13(15)18/h2-5H,6-8H2,1H3,(H,14,17)
InChIKeyKJISIVVJXKKMBF-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.36
Rot. Bonds4

About N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 9095755) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID9095755
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CSCC2=O)c1
InChIInChI=1S/C13H14N2O3S/c1-9(16)10-3-2-4-11(5-10)14-12(17)6-15-8-19-7-13(15)18/h2-5H,6-8H2,1H3,(H,14,17)
InChIKeyKJISIVVJXKKMBF-UHFFFAOYSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3,4-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26364730
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 9120373
N-(3,5-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9096790
N-(2-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 31512402
2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
CID 103791471
N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 31512699
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 60546387
N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063815
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 39693495
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9328678

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 9095755) is N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CC(=O)c1cccc(NC(=O)CN2CSCC2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is KJISIVVJXKKMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9(16)10-3-2-4-11(5-10)14-12(17)6-15-8-19-7-13(15)18/h2-5H,6-8H2,1H3,(H,14,17).
What are the key properties of N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 278.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 9095755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).