3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine

C23H17F4NS — CID 68860136

IUPAC3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine
SMILESCc1ccc(/N=C/C=C(Sc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H17F4NS/c1-16-5-9-20(10-6-16)28-14-13-22(29-21-11-7-19(24)8-12-21)17-3-2-4-18(15-17)23(25,26)27/h2-15H,1H3/b22-13?,28-14+
InChIKeySUVOZVAMCHGLNO-HOEHUDHHSA-N
MW415.46 g/mol
LogP7.69
Rot. Bonds5

About 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine

3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine (PubChem CID 68860136) has the molecular formula C23H17F4NS and a molecular weight of 415.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine
PubChem CID68860136
Molecular FormulaC23H17F4NS
Molecular Weight415.46 g/mol
Exact Mass415.10
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine
SMILESCc1ccc(/N=C/C=C(Sc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H17F4NS/c1-16-5-9-20(10-6-16)28-14-13-22(29-21-11-7-19(24)8-12-21)17-3-2-4-18(15-17)23(25,26)27/h2-15H,1H3/b22-13?,28-14+
InChIKeySUVOZVAMCHGLNO-HOEHUDHHSA-N
XLogP7.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine 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 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine (CID 68860136) is 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine is Cc1ccc(/N=C/C=C(Sc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine?
The InChIKey is SUVOZVAMCHGLNO-HOEHUDHHSA-N. The full InChI is InChI=1S/C23H17F4NS/c1-16-5-9-20(10-6-16)28-14-13-22(29-21-11-7-19(24)8-12-21)17-3-2-4-18(15-17)23(25,26)27/h2-15H,1H3/b22-13?,28-14+.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine?
3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine has a molecular weight of 415.46 g/mol, XLogP of 7.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-imine is sourced from PubChem (CID 68860136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).