6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C15H16N2OS — CID 2970481

IUPAC6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)Nc3ccccn3)csc2C1
InChIInChI=1S/C15H16N2OS/c1-10-5-6-11-12(9-19-13(11)8-10)15(18)17-14-4-2-3-7-16-14/h2-4,7,9-10H,5-6,8H2,1H3,(H,16,17,18)
InChIKeyCLCUHNYIWZKCJD-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.52
Rot. Bonds2

About 6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 2970481) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID2970481
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)Nc3ccccn3)csc2C1
InChIInChI=1S/C15H16N2OS/c1-10-5-6-11-12(9-19-13(11)8-10)15(18)17-14-4-2-3-7-16-14/h2-4,7,9-10H,5-6,8H2,1H3,(H,16,17,18)
InChIKeyCLCUHNYIWZKCJD-UHFFFAOYSA-N
XLogP3.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 2970481) is 6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC1CCc2c(C(=O)Nc3ccccn3)csc2C1.
What is the InChIKey of 6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is CLCUHNYIWZKCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-5-6-11-12(9-19-13(11)8-10)15(18)17-14-4-2-3-7-16-14/h2-4,7,9-10H,5-6,8H2,1H3,(H,16,17,18).
What are the key properties of 6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 2970481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).