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N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide (HCID 27646153)|Huagongshe
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Compound
N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
HCID
27646153
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COc1ccc(NC(=O)c2cc3ccccc3s2)cn1
InChIKey
MANSYRRPMRPEDD-UHFFFAOYSA-N
Molecular formula
C15H12N2O2S
Average molar mass
284.3 g/mol
Monoisotopic mass
284.0619488
Names & identifiers
Preferred name
N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
IUPAC
N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
Database identifiers
PubChem CID
27646153
Properties
Computed structural properties
XLogP
3.3
Topological polar surface area
79.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
353
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Related reactions
83 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
751891
As product
AIChemEco amide coupling conditions 47k dataset
HRID
752611
As product
AIChemEco amide coupling conditions 47k dataset
HRID
753088
As product
AIChemEco amide coupling conditions 47k dataset
HRID
753424
As product
AIChemEco amide coupling conditions 47k dataset
HRID
753843
As product
AIChemEco amide coupling conditions 47k dataset
HRID
754058
As product
AIChemEco amide coupling conditions 47k dataset
HRID
754105
As product
AIChemEco amide coupling conditions 47k dataset
HRID
756833
As product
AIChemEco amide coupling conditions 47k dataset
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