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

C23H18F2N2O3S — CID 15956001

IUPAC5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide
SMILESCc1ccc(C2SCC(=O)N2NC(=O)c2cc(-c3cc(F)cc(F)c3)ccc2O)cc1
InChIInChI=1S/C23H18F2N2O3S/c1-13-2-4-14(5-3-13)23-27(21(29)12-31-23)26-22(30)19-10-15(6-7-20(19)28)16-8-17(24)11-18(25)9-16/h2-11,23,28H,12H2,1H3,(H,26,30)
InChIKeyRFFBASXIYABSLS-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.56
Rot. Bonds4

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

5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide (PubChem CID 15956001) has the molecular formula C23H18F2N2O3S and a molecular weight of 440.47 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide
PubChem CID15956001
Molecular FormulaC23H18F2N2O3S
Molecular Weight440.47 g/mol
Exact Mass440.10
IUPAC Name5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide
SMILESCc1ccc(C2SCC(=O)N2NC(=O)c2cc(-c3cc(F)cc(F)c3)ccc2O)cc1
InChIInChI=1S/C23H18F2N2O3S/c1-13-2-4-14(5-3-13)23-27(21(29)12-31-23)26-22(30)19-10-15(6-7-20(19)28)16-8-17(24)11-18(25)9-16/h2-11,23,28H,12H2,1H3,(H,26,30)
InChIKeyRFFBASXIYABSLS-UHFFFAOYSA-N
XLogP4.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.56
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-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide?
The IUPAC name of 5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide (CID 15956001) is 5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide.
What is the SMILES notation for 5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide?
The canonical SMILES for 5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide is Cc1ccc(C2SCC(=O)N2NC(=O)c2cc(-c3cc(F)cc(F)c3)ccc2O)cc1.
What is the InChIKey of 5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide?
The InChIKey is RFFBASXIYABSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O3S/c1-13-2-4-14(5-3-13)23-27(21(29)12-31-23)26-22(30)19-10-15(6-7-20(19)28)16-8-17(24)11-18(25)9-16/h2-11,23,28H,12H2,1H3,(H,26,30).
What are the key properties of 5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide?
5-(3,5-difluorophenyl)-2-hydroxy-N-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide has a molecular weight of 440.47 g/mol, XLogP of 4.56, 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-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide is sourced from PubChem (CID 15956001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).