N-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide

C24H21FN2O4S2 — CID 140808370

IUPACN-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccccc2)c(C)c1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O4S2/c1-15-8-13-20(33(30,31)26-23(29)17-6-4-3-5-7-17)16(2)22(15)27-21(28)14-32-24(27)18-9-11-19(25)12-10-18/h3-13,24H,14H2,1-2H3,(H,26,29)
InChIKeyVLTTYENCDMBVKW-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.34
Rot. Bonds5

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

N-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide (PubChem CID 140808370) has the molecular formula C24H21FN2O4S2 and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide
PubChem CID140808370
Molecular FormulaC24H21FN2O4S2
Molecular Weight484.57 g/mol
Exact Mass484.09
IUPAC NameN-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccccc2)c(C)c1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O4S2/c1-15-8-13-20(33(30,31)26-23(29)17-6-4-3-5-7-17)16(2)22(15)27-21(28)14-32-24(27)18-9-11-19(25)12-10-18/h3-13,24H,14H2,1-2H3,(H,26,29)
InChIKeyVLTTYENCDMBVKW-UHFFFAOYSA-N
XLogP4.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)sulfonyl-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
CID 130385703
3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylbenzoic acid
CID 130385895
N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
CID 130385905
4-fluoro-N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42807109
(1-methylazetidin-3-yl) 2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 175173180
N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2,2-diphenylacetamide
CID 45028423
N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
CID 42804661
2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine
CID 130428082
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 741588
4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127493
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-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one
CID 130428173

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide?
The IUPAC name of N-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide (CID 140808370) is N-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide.
What is the SMILES notation for N-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide?
The canonical SMILES for N-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2)c(C)c1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of N-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide?
The InChIKey is VLTTYENCDMBVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4S2/c1-15-8-13-20(33(30,31)26-23(29)17-6-4-3-5-7-17)16(2)22(15)27-21(28)14-32-24(27)18-9-11-19(25)12-10-18/h3-13,24H,14H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide?
N-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide has a molecular weight of 484.57 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,4-dimethylphenyl]sulfonylbenzamide is sourced from PubChem (CID 140808370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).