N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide

C17H16N2O2S — CID 52606280

IUPACN-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCCOc1cc(CNC(=O)c2cc3ccccc3s2)ccn1
InChIInChI=1S/C17H16N2O2S/c1-2-21-16-9-12(7-8-18-16)11-19-17(20)15-10-13-5-3-4-6-14(13)22-15/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyXZRMIDFDGBZOIO-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.62
Rot. Bonds5

About N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide

N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 52606280) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID52606280
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCCOc1cc(CNC(=O)c2cc3ccccc3s2)ccn1
InChIInChI=1S/C17H16N2O2S/c1-2-21-16-9-12(7-8-18-16)11-19-17(20)15-10-13-5-3-4-6-14(13)22-15/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyXZRMIDFDGBZOIO-UHFFFAOYSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 63311495
N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115577883
N-[(4-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919647
N-[[3-(chloromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 114302345
N-[(2-ethoxy-4-pyridinyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55707854
N-[(2-ethoxy-4-pyridinyl)methyl]-9-oxofluorene-2-carboxamide
CID 55723662
5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 46476097
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
CID 122162683
N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 32603799
N-(1,3-benzodioxol-5-ylmethyl)-1-benzothiophene-2-carboxamide
CID 2810328
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide (CID 52606280) is N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide is CCOc1cc(CNC(=O)c2cc3ccccc3s2)ccn1.
What is the InChIKey of N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is XZRMIDFDGBZOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-21-16-9-12(7-8-18-16)11-19-17(20)15-10-13-5-3-4-6-14(13)22-15/h3-10H,2,11H2,1H3,(H,19,20).
What are the key properties of N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide?
N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 52606280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).