N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide

C19H22N2O2S — CID 22350651

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)NC3CC4CCN(C4)C3)s2)c1
InChIInChI=1S/C19H22N2O2S/c1-23-16-4-2-3-14(10-16)17-5-6-18(24-17)19(22)20-15-9-13-7-8-21(11-13)12-15/h2-6,10,13,15H,7-9,11-12H2,1H3,(H,20,22)
InChIKeyACCGGRBXQWNZOX-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.25
Rot. Bonds4

About N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 22350651) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide
PubChem CID22350651
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)NC3CC4CCN(C4)C3)s2)c1
InChIInChI=1S/C19H22N2O2S/c1-23-16-4-2-3-14(10-16)17-5-6-18(24-17)19(22)20-15-9-13-7-8-21(11-13)12-15/h2-6,10,13,15H,7-9,11-12H2,1H3,(H,20,22)
InChIKeyACCGGRBXQWNZOX-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)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

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 22350735
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide
CID 21083375
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide
CID 22350665
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 20815167
5-(3-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180969
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10154517
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-(1-azabicyclo[3.2.2]nonan-3-yl)-7-methoxynaphthalene-2-carboxamide
CID 22243566
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 66814630
N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-5-phenylthiophene-2-carboxamide
CID 141172233
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazole-2-carboxamide
CID 22350780
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 10291113

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide (CID 22350651) is N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide is COc1cccc(-c2ccc(C(=O)NC3CC4CCN(C4)C3)s2)c1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is ACCGGRBXQWNZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-23-16-4-2-3-14(10-16)17-5-6-18(24-17)19(22)20-15-9-13-7-8-21(11-13)12-15/h2-6,10,13,15H,7-9,11-12H2,1H3,(H,20,22).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 22350651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).