2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide

C17H14F2N2O2S — CID 8967517

IUPAC2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESN#Cc1ccccc1CSCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H14F2N2O2S/c18-17(19)23-15-7-5-14(6-8-15)21-16(22)11-24-10-13-4-2-1-3-12(13)9-20/h1-8,17H,10-11H2,(H,21,22)
InChIKeyDTVPUXHYARBKKI-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.03
Rot. Bonds7

About 2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide

2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 8967517) has the molecular formula C17H14F2N2O2S and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID8967517
Molecular FormulaC17H14F2N2O2S
Molecular Weight348.37 g/mol
Exact Mass348.07
IUPAC Name2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESN#Cc1ccccc1CSCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H14F2N2O2S/c18-17(19)23-15-7-5-14(6-8-15)21-16(22)11-24-10-13-4-2-1-3-12(13)9-20/h1-8,17H,10-11H2,(H,21,22)
InChIKeyDTVPUXHYARBKKI-UHFFFAOYSA-N
XLogP4.03
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[(2-cyanophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 8967384
N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967300
N-(4-bromo-3-methylphenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967245
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8967856
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8967350
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591517
2-(2-aminophenyl)sulfanyl-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8554081
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8967852
2-(2-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7941085
N-[(2R)-butan-2-yl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967589
2-(cyanomethylsulfanyl)-N-[4-(2-cyanophenoxy)phenyl]acetamide
CID 51092504
N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967089

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide (CID 8967517) is 2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide is N#Cc1ccccc1CSCC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is DTVPUXHYARBKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S/c18-17(19)23-15-7-5-14(6-8-15)21-16(22)11-24-10-13-4-2-1-3-12(13)9-20/h1-8,17H,10-11H2,(H,21,22).
What are the key properties of 2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide?
2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 348.37 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 8967517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).