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

C17H20N2OS — CID 20782103

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide
SMILESCC1C(NC(=O)c2ccc3sccc3c2)C2CCN1CC2
InChIInChI=1S/C17H20N2OS/c1-11-16(12-4-7-19(11)8-5-12)18-17(20)14-2-3-15-13(10-14)6-9-21-15/h2-3,6,9-12,16H,4-5,7-8H2,1H3,(H,18,20)
InChIKeyWZTHKRMSZTXOAZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.11
Rot. Bonds2

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

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide (PubChem CID 20782103) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide
PubChem CID20782103
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide
SMILESCC1C(NC(=O)c2ccc3sccc3c2)C2CCN1CC2
InChIInChI=1S/C17H20N2OS/c1-11-16(12-4-7-19(11)8-5-12)18-17(20)14-2-3-15-13(10-14)6-9-21-15/h2-3,6,9-12,16H,4-5,7-8H2,1H3,(H,18,20)
InChIKeyWZTHKRMSZTXOAZ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-acetyl-1,3-thiazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383486
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-5-carboxamide
CID 22481698
4-(4-fluorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383576
4-(4-acetylphenyl)sulfanyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897021
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481780
4-(3-acetamidophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383586
4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383864
N-piperidin-3-yl-1-benzothiophene-5-carboxamide
CID 119426134
ethane;N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide;N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzenecarbothioamide
CID 158375433
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-methyl-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-1,3-thiazole-2-carboxamide
CID 70124152
4-(5-acetylthiophen-2-yl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18399843
N-(1-azabicyclo[3.2.2]nonan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481751

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide (CID 20782103) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide is CC1C(NC(=O)c2ccc3sccc3c2)C2CCN1CC2.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide?
The InChIKey is WZTHKRMSZTXOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-16(12-4-7-19(11)8-5-12)18-17(20)14-2-3-15-13(10-14)6-9-21-15/h2-3,6,9-12,16H,4-5,7-8H2,1H3,(H,18,20).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 20782103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).