2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide

C24H27F3N2O2S — CID 118363703

IUPAC2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C)c1C(=O)N(S)C1(c2ccccc2)CCC2CCC1N2C
InChIInChI=1S/C24H27F3N2O2S/c1-15-13-17(24(25,26)27)14-19(31-3)21(15)22(30)29(32)23(16-7-5-4-6-8-16)12-11-18-9-10-20(23)28(18)2/h4-8,13-14,18,20,32H,9-12H2,1-3H3
InChIKeyXJBBLNCNAUVEMT-UHFFFAOYSA-N
MW464.55 g/mol
LogP5.46
Rot. Bonds4

About 2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide

2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide (PubChem CID 118363703) has the molecular formula C24H27F3N2O2S and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide
PubChem CID118363703
Molecular FormulaC24H27F3N2O2S
Molecular Weight464.55 g/mol
Exact Mass464.17
IUPAC Name2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C)c1C(=O)N(S)C1(c2ccccc2)CCC2CCC1N2C
InChIInChI=1S/C24H27F3N2O2S/c1-15-13-17(24(25,26)27)14-19(31-3)21(15)22(30)29(32)23(16-7-5-4-6-8-16)12-11-18-9-10-20(23)28(18)2/h4-8,13-14,18,20,32H,9-12H2,1-3H3
InChIKeyXJBBLNCNAUVEMT-UHFFFAOYSA-N
XLogP5.46
TPSA32.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-methyl-N-[(1S,2S,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide
CID 54767607
2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide
CID 54767779
2-methoxy-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 46850264
2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide
CID 58565901
2-methoxy-6-methylsulfanyl-N-[(1R)-1-phenyl-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl]-4-(trifluoromethyl)benzamide
CID 54767266
2-methoxy-N-[1-(oxan-4-yl)-3-phenylpiperidin-3-yl]-4,6-bis(trifluoromethyl)benzamide;oxan-4-one
CID 159807035
2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)-N-[(3S)-1,5,5-trimethyl-3-phenylpiperidin-3-yl]benzamide
CID 46849257
8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-ol
CID 58565898
2-methoxy-6-methyl-N-(6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-yl)-3-sulfanyl-4-(trifluoromethyl)benzamide
CID 90465763
4-(5-hydroxy-1-methyl-3-phenylpiperidin-3-yl)-1-[2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)phenyl]butan-1-one
CID 91365773
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide
CID 70878782

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide (CID 118363703) is 2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)cc(C)c1C(=O)N(S)C1(c2ccccc2)CCC2CCC1N2C.
What is the InChIKey of 2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide?
The InChIKey is XJBBLNCNAUVEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O2S/c1-15-13-17(24(25,26)27)14-19(31-3)21(15)22(30)29(32)23(16-7-5-4-6-8-16)12-11-18-9-10-20(23)28(18)2/h4-8,13-14,18,20,32H,9-12H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide?
2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide has a molecular weight of 464.55 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-N-sulfanyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118363703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).