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

C17H16N2O2S — CID 9075405

IUPAC2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide
SMILESO=C(CN1CCSC1=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2S/c20-16(12-19-10-11-22-17(19)21)18-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,20)
InChIKeyGXEMPQSPWNHJEO-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.46
Rot. Bonds4

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

2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide (PubChem CID 9075405) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide
PubChem CID9075405
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide
SMILESO=C(CN1CCSC1=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2S/c20-16(12-19-10-11-22-17(19)21)18-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,20)
InChIKeyGXEMPQSPWNHJEO-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 9076240
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26708775
N-(3-bromophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8871207
N-(2-fluorophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9074397
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 39995775
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 27162002
N-methyl-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 18146222
(2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 119367826
N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9069845
N-(2,2-diphenylpropyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18093818
[2-oxo-2-(2-phenylanilino)ethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003516
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9089962

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide (CID 9075405) is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide is O=C(CN1CCSC1=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide?
The InChIKey is GXEMPQSPWNHJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-16(12-19-10-11-22-17(19)21)18-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,20).
What are the key properties of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide?
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 9075405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).