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

C28H20F2N2O4S — CID 86302683

IUPAC5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide
SMILESO=C(NN1C(=O)CSC1c1cccc(Oc2ccccc2)c1)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C28H20F2N2O4S/c29-19-10-11-22(24(30)15-19)17-9-12-25(33)23(14-17)27(35)31-32-26(34)16-37-28(32)18-5-4-8-21(13-18)36-20-6-2-1-3-7-20/h1-15,28,33H,16H2,(H,31,35)
InChIKeyVMNWZANFPVQDCC-UHFFFAOYSA-N
MW518.54 g/mol
LogP6.05
Rot. Bonds6

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

5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide (PubChem CID 86302683) has the molecular formula C28H20F2N2O4S and a molecular weight of 518.54 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide
PubChem CID86302683
Molecular FormulaC28H20F2N2O4S
Molecular Weight518.54 g/mol
Exact Mass518.11
IUPAC Name5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide
SMILESO=C(NN1C(=O)CSC1c1cccc(Oc2ccccc2)c1)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C28H20F2N2O4S/c29-19-10-11-22(24(30)15-19)17-9-12-25(33)23(14-17)27(35)31-32-26(34)16-37-28(32)18-5-4-8-21(13-18)36-20-6-2-1-3-7-20/h1-15,28,33H,16H2,(H,31,35)
InChIKeyVMNWZANFPVQDCC-UHFFFAOYSA-N
XLogP6.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.54
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-difluorophenyl)-N-[2-(2-fluorophenyl)-4-oxo-thiazolidin-3-yl]-2-hydroxy-benzamide
CID 11604691
Benzamide, N-(5-butylidene-2-(2-methoxyphenyl)-4-oxo-3-thiazolidinyl)-2-hydroxy-
CID 6435573
Benzamide, N-(2-(3,4-dimethoxyphenyl)-5-((2-hydroxyphenyl)methylene)-4-oxo-3-thiazolidinyl)-2-hydroxy-
CID 6435574
5-(3,5-difluorophenyl)-2-hydroxy-N-(4-oxo-2-phenyl-thiazolidin-3-yl)benzamide
CID 15955996
5-(3,5-difluorophenyl)-N-[2-(2-fluorophenyl)-4-oxo-thiazolidin-3-yl]-2-hydroxy-benzamide
CID 15955998
5-(3,5-difluorophenyl)-N-[2-(3-fluorophenyl)-4-oxo-thiazolidin-3-yl]-2-hydroxy-benzamide
CID 15955999
5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-thiazolidin-3-yl]-2-hydroxy-benzamide
CID 15956000
5-(3,5-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(p-tolyl)thiazolidin-3-yl]benzamide
CID 15956001
N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzo[e][1]benzofuran-1-carboxamide
CID 164621789
N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzo[e][1]benzofuran-1-carboxamide
CID 164623808
4-chloro-2-(2-fluorophenoxy)-N-(2-(4-hydroxyphenyl)-4-oxothiazolidin-3-yl)benzamide
CID 155387966
4-chloro-2-(2-fluorophenoxy)-N-(2-(3-hydroxyphenyl)-4-oxothiazolidin-3-yl)benzamide
CID 155387969

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide?
The IUPAC name of 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide (CID 86302683) is 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide is O=C(NN1C(=O)CSC1c1cccc(Oc2ccccc2)c1)c1cc(-c2ccc(F)cc2F)ccc1O.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide?
The InChIKey is VMNWZANFPVQDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F2N2O4S/c29-19-10-11-22(24(30)15-19)17-9-12-25(33)23(14-17)27(35)31-32-26(34)16-37-28(32)18-5-4-8-21(13-18)36-20-6-2-1-3-7-20/h1-15,28,33H,16H2,(H,31,35).
What are the key properties of 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide?
5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide has a molecular weight of 518.54 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-hydroxy-N-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]benzamide is sourced from PubChem (CID 86302683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).