3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C18H14F3NO2S — CID 632539

IUPAC3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCc1ccc(SC2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1
InChIInChI=1S/C18H14F3NO2S/c1-11-6-8-12(9-7-11)25-15-10-16(23)22(17(15)24)14-5-3-2-4-13(14)18(19,20)21/h2-9,15H,10H2,1H3
InChIKeyAISHFLRCJDHOBO-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.44
Rot. Bonds3

About 3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 632539) has the molecular formula C18H14F3NO2S and a molecular weight of 365.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID632539
Molecular FormulaC18H14F3NO2S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCc1ccc(SC2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1
InChIInChI=1S/C18H14F3NO2S/c1-11-6-8-12(9-7-11)25-15-10-16(23)22(17(15)24)14-5-3-2-4-13(14)18(19,20)21/h2-9,15H,10H2,1H3
InChIKeyAISHFLRCJDHOBO-UHFFFAOYSA-N
XLogP4.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-Dihydro-indol-1-yl)-2-p-tolylsulfanyl-ethanone
CID 738380
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
CID 3109980
3-(2-Aminophenyl)sulfanyl-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 295601
3-(2-Aminophenyl)sulfanyl-1-(2,6-diethylphenyl)pyrrolidine-2,5-dione
CID 295607
3-(2-Aminophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 300842
3-(5-Chloro-2-methylphenyl)-2-(3-fluorophenyl)thiazolidin-4-one
CID 4195758
3-(5-Fluoro-2-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4245285
2,5-Pyrrolidinedione, 1-phenyl-3-(phenylthio)-
CID 305313
2-(3,4-Difluorophenyl)-3-(5-fluoro-2-methylphenyl)-1,3-thiazolidin-4-one
CID 4245287
2,5-Pyrrolidinedione, 3-[(4-methylphenyl)thio]-1-phenyl-
CID 2841384
1-(2,4-Difluorophenyl)-3-[(4-methylphenyl)sulfanyl]pyrrolidine-2,5-dione
CID 3745000
2-(3-Bromo-4-hydroxy-5-methoxy-phenyl)-3-(5-fluoro-2-methyl-phenyl)-thiazolidin-4-one
CID 130385636

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 632539) is 3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is Cc1ccc(SC2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is AISHFLRCJDHOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2S/c1-11-6-8-12(9-7-11)25-15-10-16(23)22(17(15)24)14-5-3-2-4-13(14)18(19,20)21/h2-9,15H,10H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 365.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 632539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).