2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide

C17H14F2N2O2S — CID 78773604

IUPAC2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C17H14F2N2O2S/c1-11(23-14-6-2-12(10-20)3-7-14)16(22)21-13-4-8-15(9-5-13)24-17(18)19/h2-9,11,17H,1H3,(H,21,22)
InChIKeyDBJHTMYNATVPJS-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.28
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide

2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide (PubChem CID 78773604) has the molecular formula C17H14F2N2O2S and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
PubChem CID78773604
Molecular FormulaC17H14F2N2O2S
Molecular Weight348.37 g/mol
Exact Mass348.07
IUPAC Name2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C17H14F2N2O2S/c1-11(23-14-6-2-12(10-20)3-7-14)16(22)21-13-4-8-15(9-5-13)24-17(18)19/h2-9,11,17H,1H3,(H,21,22)
InChIKeyDBJHTMYNATVPJS-UHFFFAOYSA-N
XLogP4.28
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide
CID 43011433
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
methyl 3-[(2R)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl]oxybenzoate
CID 8639929
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide (CID 78773604) is 2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide?
The InChIKey is DBJHTMYNATVPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S/c1-11(23-14-6-2-12(10-20)3-7-14)16(22)21-13-4-8-15(9-5-13)24-17(18)19/h2-9,11,17H,1H3,(H,21,22).
What are the key properties of 2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide?
2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide has a molecular weight of 348.37 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 78773604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).