N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide

C20H22F3N3O4S — CID 18180731

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(-c3ccccc3NS(=O)(=O)C(F)(F)F)o2)C2CCN1CC2
InChIInChI=1S/C20H22F3N3O4S/c1-12-18(13-8-10-26(12)11-9-13)24-19(27)17-7-6-16(30-17)14-4-2-3-5-15(14)25-31(28,29)20(21,22)23/h2-7,12-13,18,25H,8-11H2,1H3,(H,24,27)
InChIKeyMIMBFJXOTLUZRS-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.42
Rot. Bonds5

About N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide (PubChem CID 18180731) has the molecular formula C20H22F3N3O4S and a molecular weight of 457.47 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide
PubChem CID18180731
Molecular FormulaC20H22F3N3O4S
Molecular Weight457.47 g/mol
Exact Mass457.13
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(-c3ccccc3NS(=O)(=O)C(F)(F)F)o2)C2CCN1CC2
InChIInChI=1S/C20H22F3N3O4S/c1-12-18(13-8-10-26(12)11-9-13)24-19(27)17-7-6-16(30-17)14-4-2-3-5-15(14)25-31(28,29)20(21,22)23/h2-7,12-13,18,25H,8-11H2,1H3,(H,24,27)
InChIKeyMIMBFJXOTLUZRS-UHFFFAOYSA-N
XLogP3.42
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-amino-2-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18181888
5-(3-chloro-4-pyridinyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18181364
N-[(3R)-6-methyl-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 87999259
5-(4-chloro-2-nitrophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180346
2-[2-(methanesulfonamido)phenyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-5-carboxamide
CID 18180351
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-5-carboxamide
CID 18181608
5-(2-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180839
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide
CID 18182046
5-(2-fluoro-3-pyridinyl)-1-methyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]pyrrole-2-carboxamide
CID 18337387
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 18181740
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 18181601
2-(2-aminophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-5-carboxamide
CID 18180793

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide (CID 18180731) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide is CC1C(NC(=O)c2ccc(-c3ccccc3NS(=O)(=O)C(F)(F)F)o2)C2CCN1CC2.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide?
The InChIKey is MIMBFJXOTLUZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4S/c1-12-18(13-8-10-26(12)11-9-13)24-19(27)17-7-6-16(30-17)14-4-2-3-5-15(14)25-31(28,29)20(21,22)23/h2-7,12-13,18,25H,8-11H2,1H3,(H,24,27).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide has a molecular weight of 457.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(trifluoromethylsulfonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 18180731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).