5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide

C16H15N3OS — CID 61095095

IUPAC5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)NCCc3ccccn3)cc2c1
InChIInChI=1S/C16H15N3OS/c17-12-4-5-14-11(9-12)10-15(21-14)16(20)19-8-6-13-3-1-2-7-18-13/h1-5,7,9-10H,6,8,17H2,(H,19,20)
InChIKeyCLHCJZMJXUOKNK-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.85
Rot. Bonds4

About 5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide

5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 61095095) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID61095095
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)NCCc3ccccn3)cc2c1
InChIInChI=1S/C16H15N3OS/c17-12-4-5-14-11(9-12)10-15(21-14)16(20)19-8-6-13-3-1-2-7-18-13/h1-5,7,9-10H,6,8,17H2,(H,19,20)
InChIKeyCLHCJZMJXUOKNK-UHFFFAOYSA-N
XLogP2.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide
CID 61095096
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61094816
5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107843229
5-amino-N-(3,3,3-trifluoropropyl)-1-benzothiophene-2-carboxamide
CID 55174937
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 81170386
5-amino-N-(2-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 61102153
5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
CID 113303500
5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808773
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 62977734
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide
CID 111784598
5-chloro-4-nitro-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 112530264

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide (CID 61095095) is 5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide is Nc1ccc2sc(C(=O)NCCc3ccccn3)cc2c1.
What is the InChIKey of 5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is CLHCJZMJXUOKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-12-4-5-14-11(9-12)10-15(21-14)16(20)19-8-6-13-3-1-2-7-18-13/h1-5,7,9-10H,6,8,17H2,(H,19,20).
What are the key properties of 5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 61095095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).