N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

C17H21F3N2O3S — CID 91625017

IUPACN-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N1C2CCC1CC(NC(=O)Cc1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C17H21F3N2O3S/c1-26(24,25)22-14-6-7-15(22)10-13(9-14)21-16(23)8-11-2-4-12(5-3-11)17(18,19)20/h2-5,13-15H,6-10H2,1H3,(H,21,23)
InChIKeyUTKMIPILSOJTIX-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.32
Rot. Bonds4

About N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 91625017) has the molecular formula C17H21F3N2O3S and a molecular weight of 390.43 g/mol. Its IUPAC name is N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID91625017
Molecular FormulaC17H21F3N2O3S
Molecular Weight390.43 g/mol
Exact Mass390.12
IUPAC NameN-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N1C2CCC1CC(NC(=O)Cc1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C17H21F3N2O3S/c1-26(24,25)22-14-6-7-15(22)10-13(9-14)21-16(23)8-11-2-4-12(5-3-11)17(18,19)20/h2-5,13-15H,6-10H2,1H3,(H,21,23)
InChIKeyUTKMIPILSOJTIX-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 91625017) is N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)N1C2CCC1CC(NC(=O)Cc1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UTKMIPILSOJTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3S/c1-26(24,25)22-14-6-7-15(22)10-13(9-14)21-16(23)8-11-2-4-12(5-3-11)17(18,19)20/h2-5,13-15H,6-10H2,1H3,(H,21,23).
What are the key properties of N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 390.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91625017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).