2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide

C16H19F3N2OS — CID 119706966

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C16H19F3N2OS/c17-16(18,19)23-14-4-2-1-3-13(14)21-15(22)9-10-7-11-5-6-12(8-10)20-11/h1-4,10-12,20H,5-9H2,(H,21,22)
InChIKeyJMBZFKUEGWFNLK-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.16
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 119706966) has the molecular formula C16H19F3N2OS and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID119706966
Molecular FormulaC16H19F3N2OS
Molecular Weight344.40 g/mol
Exact Mass344.12
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C16H19F3N2OS/c17-16(18,19)23-14-4-2-1-3-13(14)21-15(22)9-10-7-11-5-6-12(8-10)20-11/h1-4,10-12,20H,5-9H2,(H,21,22)
InChIKeyJMBZFKUEGWFNLK-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
CID 79606850
2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119706973
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119673021
2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60841801
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119704664
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylbenzamide
CID 119714094
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,4,5-trifluorophenyl)phenyl]acetamide;hydrochloride
CID 119813729
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 119795170
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103479368
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828036
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)phenyl]acetamide;dihydrochloride
CID 119842083

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide (CID 119706966) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide is O=C(CC1CC2CCC(C1)N2)Nc1ccccc1SC(F)(F)F.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is JMBZFKUEGWFNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2OS/c17-16(18,19)23-14-4-2-1-3-13(14)21-15(22)9-10-7-11-5-6-12(8-10)20-11/h1-4,10-12,20H,5-9H2,(H,21,22).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 344.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 119706966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).