N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide

C18H19ClN2OS — CID 18180543

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C18H19ClN2OS/c19-14-4-2-1-3-13(14)16-5-6-17(23-16)18(22)20-15-11-21-9-7-12(15)8-10-21/h1-6,12,15H,7-11H2,(H,20,22)
InChIKeyDBQAISAIFZUCHJ-UHFFFAOYSA-N
MW346.88 g/mol
LogP3.89
Rot. Bonds3

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide (PubChem CID 18180543) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide
PubChem CID18180543
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2ccccc2Cl)s1
InChIInChI=1S/C18H19ClN2OS/c19-14-4-2-1-3-13(14)16-5-6-17(23-16)18(22)20-15-11-21-9-7-12(15)8-10-21/h1-6,12,15H,7-11H2,(H,20,22)
InChIKeyDBQAISAIFZUCHJ-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-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

(R)-7-Chloro-N-(quinuclidin-3-yl)benzo(b)thiophene-2-carboxamide
CID 46196517
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-5-phenylthiophene-2-carboxamide
CID 10291446
Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
5-Phenyl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 9922799
5-Phenyl-thiophene-3-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 9944605
Benzo[b]thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 17982621
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-2-carboxamide
CID 24758175
US9776991, Example 3
CID 118112541
Encenicline Hydrochloride
CID 46208542
2-chloro-N-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]benzamide
CID 2551480
2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4879880

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide (CID 18180543) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(-c2ccccc2Cl)s1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide?
The InChIKey is DBQAISAIFZUCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c19-14-4-2-1-3-13(14)16-5-6-17(23-16)18(22)20-15-11-21-9-7-12(15)8-10-21/h1-6,12,15H,7-11H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-chlorophenyl)thiophene-2-carboxamide has a molecular weight of 346.88 g/mol, XLogP of 3.89, 3 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-(2-chlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 18180543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).