N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide

C17H16N2O2S — CID 3630500

IUPACN-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CSC2c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2S/c1-12(20)18-14-7-9-15(10-8-14)19-16(21)11-22-17(19)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,18,20)
InChIKeyHFTSNJIZKJTOKY-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.42
Rot. Bonds3

About N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide

N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide (PubChem CID 3630500) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
PubChem CID3630500
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CSC2c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2S/c1-12(20)18-14-7-9-15(10-8-14)19-16(21)11-22-17(19)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,18,20)
InChIKeyHFTSNJIZKJTOKY-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide (CID 3630500) is N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CSC2c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide?
The InChIKey is HFTSNJIZKJTOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12(20)18-14-7-9-15(10-8-14)19-16(21)11-22-17(19)13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,18,20).
What are the key properties of N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide?
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide is sourced from PubChem (CID 3630500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).