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

C24H21FN2O3S — CID 130385754

IUPAC4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3C(=O)CSC3c3ccc(F)cc3)c(C)c2)cc1
InChIInChI=1S/C24H21FN2O3S/c1-15-13-17(23(29)26-19-8-10-20(30-2)11-9-19)5-12-21(15)27-22(28)14-31-24(27)16-3-6-18(25)7-4-16/h3-13,24H,14H2,1-2H3,(H,26,29)
InChIKeyUHVGFKQWRKOECZ-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.17
Rot. Bonds5

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

4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide (PubChem CID 130385754) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide
PubChem CID130385754
Molecular FormulaC24H21FN2O3S
Molecular Weight436.51 g/mol
Exact Mass436.13
IUPAC Name4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3C(=O)CSC3c3ccc(F)cc3)c(C)c2)cc1
InChIInChI=1S/C24H21FN2O3S/c1-15-13-17(23(29)26-19-8-10-20(30-2)11-9-19)5-12-21(15)27-22(28)14-31-24(27)16-3-6-18(25)7-4-16/h3-13,24H,14H2,1-2H3,(H,26,29)
InChIKeyUHVGFKQWRKOECZ-UHFFFAOYSA-N
XLogP5.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93127695
4-fluoro-N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42807109
N-[4-[(2S)-3-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93125898
N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
CID 93127692
2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine
CID 130428082
N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide
CID 145367079
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)-3-methylbenzamide
CID 130385708
4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127493
propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385743
N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
CID 130385994
4-methoxy-N-[4-[(2R)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127065
4-methoxy-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93005218

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide?
The IUPAC name of 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide (CID 130385754) is 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide is COc1ccc(NC(=O)c2ccc(N3C(=O)CSC3c3ccc(F)cc3)c(C)c2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide?
The InChIKey is UHVGFKQWRKOECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c1-15-13-17(23(29)26-19-8-10-20(30-2)11-9-19)5-12-21(15)27-22(28)14-31-24(27)16-3-6-18(25)7-4-16/h3-13,24H,14H2,1-2H3,(H,26,29).
What are the key properties of 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide?
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide has a molecular weight of 436.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 130385754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).