5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

C24H20F3NS — CID 58915241

IUPAC5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESCc1ccccc1C1=NC(c2ccc(-c3ccc(SC(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C24H20F3NS/c1-16-4-2-3-5-21(16)23-15-14-22(28-23)19-8-6-17(7-9-19)18-10-12-20(13-11-18)29-24(25,26)27/h2-13,22H,14-15H2,1H3
InChIKeyFGPYTJTXNNKLFX-UHFFFAOYSA-N
MW411.49 g/mol
LogP7.60
Rot. Bonds4

About 5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 58915241) has the molecular formula C24H20F3NS and a molecular weight of 411.49 g/mol. Its IUPAC name is 5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID58915241
Molecular FormulaC24H20F3NS
Molecular Weight411.49 g/mol
Exact Mass411.13
IUPAC Name5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESCc1ccccc1C1=NC(c2ccc(-c3ccc(SC(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C24H20F3NS/c1-16-4-2-3-5-21(16)23-15-14-22(28-23)19-8-6-17(7-9-19)18-10-12-20(13-11-18)29-24(25,26)27/h2-13,22H,14-15H2,1H3
InChIKeyFGPYTJTXNNKLFX-UHFFFAOYSA-N
XLogP7.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (CID 58915241) is 5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is Cc1ccccc1C1=NC(c2ccc(-c3ccc(SC(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is FGPYTJTXNNKLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NS/c1-16-4-2-3-5-21(16)23-15-14-22(28-23)19-8-6-17(7-9-19)18-10-12-20(13-11-18)29-24(25,26)27/h2-13,22H,14-15H2,1H3.
What are the key properties of 5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 411.49 g/mol, XLogP of 7.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).