5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide

C22H16F2N2O3S — CID 15955996

IUPAC5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide
SMILESO=C(NN1C(=O)CSC1c1ccccc1)c1cc(-c2cc(F)cc(F)c2)ccc1O
InChIInChI=1S/C22H16F2N2O3S/c23-16-8-15(9-17(24)11-16)14-6-7-19(27)18(10-14)21(29)25-26-20(28)12-30-22(26)13-4-2-1-3-5-13/h1-11,22,27H,12H2,(H,25,29)
InChIKeyMAVQWIXFGVNHMS-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.26
Rot. Bonds4

About 5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide

5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide (PubChem CID 15955996) has the molecular formula C22H16F2N2O3S and a molecular weight of 426.44 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide
PubChem CID15955996
Molecular FormulaC22H16F2N2O3S
Molecular Weight426.44 g/mol
Exact Mass426.08
IUPAC Name5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide
SMILESO=C(NN1C(=O)CSC1c1ccccc1)c1cc(-c2cc(F)cc(F)c2)ccc1O
InChIInChI=1S/C22H16F2N2O3S/c23-16-8-15(9-17(24)11-16)14-6-7-19(27)18(10-14)21(29)25-26-20(28)12-30-22(26)13-4-2-1-3-5-13/h1-11,22,27H,12H2,(H,25,29)
InChIKeyMAVQWIXFGVNHMS-UHFFFAOYSA-N
XLogP4.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide?
The IUPAC name of 5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide (CID 15955996) is 5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide.
What is the SMILES notation for 5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide?
The canonical SMILES for 5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide is O=C(NN1C(=O)CSC1c1ccccc1)c1cc(-c2cc(F)cc(F)c2)ccc1O.
What is the InChIKey of 5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide?
The InChIKey is MAVQWIXFGVNHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O3S/c23-16-8-15(9-17(24)11-16)14-6-7-19(27)18(10-14)21(29)25-26-20(28)12-30-22(26)13-4-2-1-3-5-13/h1-11,22,27H,12H2,(H,25,29).
What are the key properties of 5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide?
5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide has a molecular weight of 426.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide is sourced from PubChem (CID 15955996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).