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N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide

HCID 11634162
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1cc(-c2ccc(S(=O)(=O)NCc3ccc(N(C)C)nc3)s2)c(C)[nH]c1=O
InChIKey
MUAQTLKREGPHKQ-UHFFFAOYSA-N
Molecular formula
C20H24N4O3S2
Average molar mass
432.6 g/mol

Names & identifiers

Preferred name
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
IUPAC
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide

Names & synonyms

SCHEMBL6371082

Database identifiers

PubChem CID
11634162

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
128 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
29
Formal charge
0
Complexity
786

Related reactions

1 records
New reaction record
HRID 2152773 reaction equation
HRID 2152773As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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