5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C17H20N2OS — CID 24819750

IUPAC5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCC1CCc2sc(C(=O)NCc3ccccn3)cc2C1
InChIInChI=1S/C17H20N2OS/c1-2-12-6-7-15-13(9-12)10-16(21-15)17(20)19-11-14-5-3-4-8-18-14/h3-5,8,10,12H,2,6-7,9,11H2,1H3,(H,19,20)
InChIKeyFBBAYKIZERPSDJ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.59
Rot. Bonds4

About 5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 24819750) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID24819750
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCC1CCc2sc(C(=O)NCc3ccccn3)cc2C1
InChIInChI=1S/C17H20N2OS/c1-2-12-6-7-15-13(9-12)10-16(21-15)17(20)19-11-14-5-3-4-8-18-14/h3-5,8,10,12H,2,6-7,9,11H2,1H3,(H,19,20)
InChIKeyFBBAYKIZERPSDJ-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 24819750) is 5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CCC1CCc2sc(C(=O)NCc3ccccn3)cc2C1.
What is the InChIKey of 5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is FBBAYKIZERPSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-12-6-7-15-13(9-12)10-16(21-15)17(20)19-11-14-5-3-4-8-18-14/h3-5,8,10,12H,2,6-7,9,11H2,1H3,(H,19,20).
What are the key properties of 5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24819750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).