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

C17H20N2OS — CID 77498341

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CN4CCC3CC4)cc2c1
InChIInChI=1S/C17H20N2OS/c1-11-2-3-15-13(8-11)9-16(21-15)17(20)18-14-10-19-6-4-12(14)5-7-19/h2-3,8-9,12,14H,4-7,10H2,1H3,(H,18,20)
InChIKeyBVUXACJZFWGQLI-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.03
Rot. Bonds2

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide (PubChem CID 77498341) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide
PubChem CID77498341
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CN4CCC3CC4)cc2c1
InChIInChI=1S/C17H20N2OS/c1-11-2-3-15-13(8-11)9-16(21-15)17(20)18-14-10-19-6-4-12(14)5-7-19/h2-3,8-9,12,14H,4-7,10H2,1H3,(H,18,20)
InChIKeyBVUXACJZFWGQLI-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 10125921
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide
CID 18181690
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194354
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 91948603
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(4-formylphenyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 86606708
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-[(3-bromophenyl)carbamoylamino]-1-benzothiophene-2-carboxamide
CID 67042242
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[[(1R)-1-phenylethyl]carbamoylamino]-1-benzothiophene-2-carboxamide
CID 10253109
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 18181309
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methoxy-5-phenylthiophene-2-carboxamide
CID 18180378
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide (CID 77498341) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NC3CN4CCC3CC4)cc2c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is BVUXACJZFWGQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-2-3-15-13(8-11)9-16(21-15)17(20)18-14-10-19-6-4-12(14)5-7-19/h2-3,8-9,12,14H,4-7,10H2,1H3,(H,18,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 77498341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).