N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide

C24H19F3N2O2S — CID 130385994

IUPACN-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2cc(F)cc(F)c2)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C24H19F3N2O2S/c1-14-8-17(23(31)28-12-15-9-19(26)11-20(27)10-15)4-7-21(14)29-22(30)13-32-24(29)16-2-5-18(25)6-3-16/h2-11,24H,12-13H2,1H3,(H,28,31)
InChIKeyAYVCSGRUNPBGJU-UHFFFAOYSA-N
MW456.49 g/mol
LogP5.12
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide

N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide (PubChem CID 130385994) has the molecular formula C24H19F3N2O2S and a molecular weight of 456.49 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
PubChem CID130385994
Molecular FormulaC24H19F3N2O2S
Molecular Weight456.49 g/mol
Exact Mass456.11
IUPAC NameN-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2cc(F)cc(F)c2)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C24H19F3N2O2S/c1-14-8-17(23(31)28-12-15-9-19(26)11-20(27)10-15)4-7-21(14)29-22(30)13-32-24(29)16-2-5-18(25)6-3-16/h2-11,24H,12-13H2,1H3,(H,28,31)
InChIKeyAYVCSGRUNPBGJU-UHFFFAOYSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)-3-methylbenzamide
CID 130385708
2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine
CID 130428082
N-[(3-methoxy-5-methylphenyl)methyl]-3-methyl-4-[2-(4-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide
CID 145366924
N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
CID 130385905
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide
CID 130385754
propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385743
2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one
CID 130428173
N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
CID 130385703
1-adamantyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385606
2-(4-fluorophenyl)-3-[2-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
CID 130428174
methyl 4-[2-(4-methoxycarbonylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130386094
3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylbenzoic acid
CID 130385895

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide (CID 130385994) is N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide is Cc1cc(C(=O)NCc2cc(F)cc(F)c2)ccc1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide?
The InChIKey is AYVCSGRUNPBGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O2S/c1-14-8-17(23(31)28-12-15-9-19(26)11-20(27)10-15)4-7-21(14)29-22(30)13-32-24(29)16-2-5-18(25)6-3-16/h2-11,24H,12-13H2,1H3,(H,28,31).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide?
N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide has a molecular weight of 456.49 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide is sourced from PubChem (CID 130385994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).