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

C14H14N2OS — CID 829296

IUPACN-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccccn1)c1csc2c1CCCC2
InChIInChI=1S/C14H14N2OS/c17-14(16-13-7-3-4-8-15-13)11-9-18-12-6-2-1-5-10(11)12/h3-4,7-9H,1-2,5-6H2,(H,15,16,17)
InChIKeyUCQAMKMTOLXIEF-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.27
Rot. Bonds2

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

N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 829296) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID829296
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccccn1)c1csc2c1CCCC2
InChIInChI=1S/C14H14N2OS/c17-14(16-13-7-3-4-8-15-13)11-9-18-12-6-2-1-5-10(11)12/h3-4,7-9H,1-2,5-6H2,(H,15,16,17)
InChIKeyUCQAMKMTOLXIEF-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 829296) is N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(Nc1ccccn1)c1csc2c1CCCC2.
What is the InChIKey of N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is UCQAMKMTOLXIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14(16-13-7-3-4-8-15-13)11-9-18-12-6-2-1-5-10(11)12/h3-4,7-9H,1-2,5-6H2,(H,15,16,17).
What are the key properties of N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 829296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).