3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine

C22H24FNS — CID 68858608

IUPAC3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
SMILESCc1ccc(/N=C/C=C(Sc2ccc(F)cc2)C2CCCCC2)cc1
InChIInChI=1S/C22H24FNS/c1-17-7-11-20(12-8-17)24-16-15-22(18-5-3-2-4-6-18)25-21-13-9-19(23)10-14-21/h7-16,18H,2-6H2,1H3/b22-15?,24-16+
InChIKeyHARWIGZNDGGKCZ-DKEMIIOXSA-N
MW353.51 g/mol
LogP7.09
Rot. Bonds5

About 3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine

3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine (PubChem CID 68858608) has the molecular formula C22H24FNS and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
PubChem CID68858608
Molecular FormulaC22H24FNS
Molecular Weight353.51 g/mol
Exact Mass353.16
IUPAC Name3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine
SMILESCc1ccc(/N=C/C=C(Sc2ccc(F)cc2)C2CCCCC2)cc1
InChIInChI=1S/C22H24FNS/c1-17-7-11-20(12-8-17)24-16-15-22(18-5-3-2-4-6-18)25-21-13-9-19(23)10-14-21/h7-16,18H,2-6H2,1H3/b22-15?,24-16+
InChIKeyHARWIGZNDGGKCZ-DKEMIIOXSA-N
XLogP7.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine?
The IUPAC name of 3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine (CID 68858608) is 3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine.
What is the SMILES notation for 3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine?
The canonical SMILES for 3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine is Cc1ccc(/N=C/C=C(Sc2ccc(F)cc2)C2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine?
The InChIKey is HARWIGZNDGGKCZ-DKEMIIOXSA-N. The full InChI is InChI=1S/C22H24FNS/c1-17-7-11-20(12-8-17)24-16-15-22(18-5-3-2-4-6-18)25-21-13-9-19(23)10-14-21/h7-16,18H,2-6H2,1H3/b22-15?,24-16+.
What are the key properties of 3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine?
3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine has a molecular weight of 353.51 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-en-1-imine is sourced from PubChem (CID 68858608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).