N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide

C16H14N2O2S — CID 146088412

IUPACN-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2s1)c1cc[nH]c(=O)c1
InChIInChI=1S/C16H14N2O2S/c1-10(11-6-7-17-15(19)9-11)18-16(20)14-8-12-4-2-3-5-13(12)21-14/h2-10H,1H3,(H,17,19)(H,18,20)
InChIKeyBYPICKKXRSDHPH-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.08
Rot. Bonds3

About N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide

N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 146088412) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID146088412
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2s1)c1cc[nH]c(=O)c1
InChIInChI=1S/C16H14N2O2S/c1-10(11-6-7-17-15(19)9-11)18-16(20)14-8-12-4-2-3-5-13(12)21-14/h2-10H,1H3,(H,17,19)(H,18,20)
InChIKeyBYPICKKXRSDHPH-UHFFFAOYSA-N
XLogP3.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 134049414
N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide
CID 51942414
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55580755
N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 79252054
N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
CID 114389678
N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43393191
2-[(1R)-1-(1-benzothiophene-2-carbonylamino)ethyl]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 58418239
N-(1-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 63931473
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
2-(1-benzothiophene-2-carbonylamino)butanoic acid
CID 43388189
N-(1-bromo-4-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 114177755
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-benzothiophene-2-carboxylate
CID 7887183

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 146088412) is N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide is CC(NC(=O)c1cc2ccccc2s1)c1cc[nH]c(=O)c1.
What is the InChIKey of N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is BYPICKKXRSDHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10(11-6-7-17-15(19)9-11)18-16(20)14-8-12-4-2-3-5-13(12)21-14/h2-10H,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide?
N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 146088412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).