2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

C18H23F3N2OS — CID 119795170

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESCc1ccc(SCC(F)(F)F)c(NC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C18H23F3N2OS/c1-11-2-5-16(25-10-18(19,20)21)15(6-11)23-17(24)9-12-7-13-3-4-14(8-12)22-13/h2,5-6,12-14,22H,3-4,7-10H2,1H3,(H,23,24)
InChIKeyXPOZJSKXPWFCKS-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.51
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide (PubChem CID 119795170) has the molecular formula C18H23F3N2OS and a molecular weight of 372.46 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
PubChem CID119795170
Molecular FormulaC18H23F3N2OS
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESCc1ccc(SCC(F)(F)F)c(NC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C18H23F3N2OS/c1-11-2-5-16(25-10-18(19,20)21)15(6-11)23-17(24)9-12-7-13-3-4-14(8-12)22-13/h2,5-6,12-14,22H,3-4,7-10H2,1H3,(H,23,24)
InChIKeyXPOZJSKXPWFCKS-UHFFFAOYSA-N
XLogP4.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(dimethylamino)methyl]-4-methylphenyl]acetamide
CID 119887747
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 119706966
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 119697637
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-(4-hydroxy-2-methylphenyl)acetamide
CID 79614826
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 79609586
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide
CID 79607339
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride
CID 119810421
1-[(2S)-4-hydroxybutan-2-yl]-3-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea
CID 95774168
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856692
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dibromophenyl)acetamide
CID 79606861

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide (CID 119795170) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide is Cc1ccc(SCC(F)(F)F)c(NC(=O)CC2CC3CCC(C2)N3)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The InChIKey is XPOZJSKXPWFCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2OS/c1-11-2-5-16(25-10-18(19,20)21)15(6-11)23-17(24)9-12-7-13-3-4-14(8-12)22-13/h2,5-6,12-14,22H,3-4,7-10H2,1H3,(H,23,24).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide has a molecular weight of 372.46 g/mol, XLogP of 4.51, 5 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-[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 119795170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).