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N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-hydroxyphenyl)thiophene-2-carboxamide

HCID 9858638
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NC1CN2CCC1CC2)c1ccc(-c2ccccc2O)s1
InChIKey
QPSRBGQSPHQEOF-UHFFFAOYSA-N
Molecular formula
C18H20N2O2S
Average molar mass
328.4 g/mol

Names & identifiers

Preferred name
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-hydroxyphenyl)thiophene-2-carboxamide
IUPAC
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-hydroxyphenyl)thiophene-2-carboxamide

Database identifiers

PubChem CID
9858638

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
80.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Formal charge
0
Complexity
439

Related reactions

1 records
New reaction record
HRID 88019 reaction equation
HRID 88019As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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