2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

C22H16F2N2O2S — CID 16595652

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3SC(F)F)cc2)cc1
InChIInChI=1S/C22H16F2N2O2S/c23-22(24)29-20-4-2-1-3-19(20)26-21(27)14-28-18-11-9-17(10-12-18)16-7-5-15(13-25)6-8-16/h1-12,22H,14H2,(H,26,27)
InChIKeyQLEYCMSEKWOPEK-UHFFFAOYSA-N
MW410.45 g/mol
LogP5.56
Rot. Bonds7

About 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 16595652) has the molecular formula C22H16F2N2O2S and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID16595652
Molecular FormulaC22H16F2N2O2S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3SC(F)F)cc2)cc1
InChIInChI=1S/C22H16F2N2O2S/c23-22(24)29-20-4-2-1-3-19(20)26-21(27)14-28-18-11-9-17(10-12-18)16-7-5-15(13-25)6-8-16/h1-12,22H,14H2,(H,26,27)
InChIKeyQLEYCMSEKWOPEK-UHFFFAOYSA-N
XLogP5.56
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670915
2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 7670294
2-[4-(4-cyanophenyl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 7966721
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
CID 18275752
N-(2-benzylphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503196
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 40576724
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670832
N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670995
N-[2-(difluoromethylsulfanyl)phenyl]-4-phenoxybutanamide
CID 112766444
N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 134019347

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (CID 16595652) is 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3SC(F)F)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is QLEYCMSEKWOPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O2S/c23-22(24)29-20-4-2-1-3-19(20)26-21(27)14-28-18-11-9-17(10-12-18)16-7-5-15(13-25)6-8-16/h1-12,22H,14H2,(H,26,27).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 16595652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).