N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide

C17H20N2OS — CID 19778129

IUPACN-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccccc2c1C(=O)NC12CCN(CC1)CC2
InChIInChI=1S/C17H20N2OS/c1-12-15(13-4-2-3-5-14(13)21-12)16(20)18-17-6-9-19(10-7-17)11-8-17/h2-5H,6-11H2,1H3,(H,18,20)
InChIKeyMGBOSHSNBXELNH-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.18
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide (PubChem CID 19778129) 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-4-yl)-2-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide
PubChem CID19778129
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccccc2c1C(=O)NC12CCN(CC1)CC2
InChIInChI=1S/C17H20N2OS/c1-12-15(13-4-2-3-5-14(13)21-12)16(20)18-17-6-9-19(10-7-17)11-8-17/h2-5H,6-11H2,1H3,(H,18,20)
InChIKeyMGBOSHSNBXELNH-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-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

dimethyl 2,3-bis(2-methyl-1-benzothiophen-3-yl)but-2-enedioate
CID 68816098
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride
CID 163334626
methyl 1-(2-methyl-1-benzothiophen-3-yl)cyclopropane-1-carboxylate
CID 116987525
4-chloro-1-(2-methyl-1-benzothiophen-3-yl)butan-1-one
CID 10354887
1,3-dimethyl-2-benzothiophene;2,5-dimethylthiophene-3,4-dicarboxylic acid
CID 159324203
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599515
2-methyl-1-benzothiophene-3-carbaldehyde
CID 3775467
[1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine
CID 116987517
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone
CID 154816969
2-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzothiophene-3-carboxamide
CID 155502417
2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 155505565
(8-methanimidoyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methyl-1-benzothiophene-3-carboxylate;hydrochloride
CID 19789626

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide (CID 19778129) is N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide is Cc1sc2ccccc2c1C(=O)NC12CCN(CC1)CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is MGBOSHSNBXELNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-15(13-4-2-3-5-14(13)21-12)16(20)18-17-6-9-19(10-7-17)11-8-17/h2-5H,6-11H2,1H3,(H,18,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methyl-1-benzothiophene-3-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.18, 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-4-yl)-2-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 19778129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).