1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine

C22H17F2NS — CID 91015927

IUPAC1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
SMILESCc1ccc(SC=C/C(=N\c2ccccc2)c2cc(F)ccc2F)cc1
InChIInChI=1S/C22H17F2NS/c1-16-7-10-19(11-8-16)26-14-13-22(25-18-5-3-2-4-6-18)20-15-17(23)9-12-21(20)24/h2-15H,1H3/b14-13?,25-22+
InChIKeyGFGZQUYCDLFKNT-GLGZCROCSA-N
MW365.45 g/mol
LogP6.70
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine

1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine (PubChem CID 91015927) has the molecular formula C22H17F2NS and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
PubChem CID91015927
Molecular FormulaC22H17F2NS
Molecular Weight365.45 g/mol
Exact Mass365.10
IUPAC Name1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
SMILESCc1ccc(SC=C/C(=N\c2ccccc2)c2cc(F)ccc2F)cc1
InChIInChI=1S/C22H17F2NS/c1-16-7-10-19(11-8-16)26-14-13-22(25-18-5-3-2-4-6-18)20-15-17(23)9-12-21(20)24/h2-15H,1H3/b14-13?,25-22+
InChIKeyGFGZQUYCDLFKNT-GLGZCROCSA-N
XLogP6.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 56.70
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 1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine (CID 91015927) is 1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine is Cc1ccc(SC=C/C(=N\c2ccccc2)c2cc(F)ccc2F)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
The InChIKey is GFGZQUYCDLFKNT-GLGZCROCSA-N. The full InChI is InChI=1S/C22H17F2NS/c1-16-7-10-19(11-8-16)26-14-13-22(25-18-5-3-2-4-6-18)20-15-17(23)9-12-21(20)24/h2-15H,1H3/b14-13?,25-22+.
What are the key properties of 1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine?
1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine has a molecular weight of 365.45 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(4-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine is sourced from PubChem (CID 91015927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).