N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide

C23H19FN2O3S — CID 45028423

IUPACN-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C1CSC(c2ccc(F)cc2)N1NC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19FN2O3S/c24-19-13-11-16(12-14-19)21-26(20(27)15-30-21)25-22(28)23(29,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21,29H,15H2,(H,25,28)
InChIKeyNRYVQFNBJPEARF-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide

N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 45028423) has the molecular formula C23H19FN2O3S and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide
PubChem CID45028423
Molecular FormulaC23H19FN2O3S
Molecular Weight422.48 g/mol
Exact Mass422.11
IUPAC NameN-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C1CSC(c2ccc(F)cc2)N1NC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19FN2O3S/c24-19-13-11-16(12-14-19)21-26(20(27)15-30-21)25-22(28)23(29,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21,29H,15H2,(H,25,28)
InChIKeyNRYVQFNBJPEARF-UHFFFAOYSA-N
XLogP3.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide (CID 45028423) is N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide is O=C1CSC(c2ccc(F)cc2)N1NC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is NRYVQFNBJPEARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3S/c24-19-13-11-16(12-14-19)21-26(20(27)15-30-21)25-22(28)23(29,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21,29H,15H2,(H,25,28).
What are the key properties of N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide?
N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 422.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 45028423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).