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5-(5-formyl-3-thienyl)-3-(1-{[3-(methyloxy)propyl]sulfonyl}-4-piperidinyl)-1H-indole-7-carboxamide

HCID 11620105
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4csc(C=O)c4)cc23)CC1
InChIKey
CBYQDSQGZQSPML-UHFFFAOYSA-N
Molecular formula
C23H27N3O5S2
Average molar mass
489.6 g/mol

Names & identifiers

Preferred name
5-(5-formyl-3-thienyl)-3-(1-{[3-(methyloxy)propyl]sulfonyl}-4-piperidinyl)-1H-indole-7-carboxamide
IUPAC
5-(5-formylthiophen-3-yl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide

Names & synonyms

SCHEMBL3804744CBYQDSQGZQSPML-UHFFFAOYSA-N5-(5-formyl-3-thienyl)-3-(1-{[3-(methyloxy)propyl]sulfonyl}-4-piperidinyl)-1H-indole-7-carboxamide

Database identifiers

PubChem CID
11620105

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
159 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
33
Formal charge
0
Complexity
796

Related reactions

5 records
New reaction record
HRID 105979 reaction equation
HRID 105979As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 803124 reaction equation
HRID 803124As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 2267508 reaction equation
HRID 2267508As productuspto-grants-2010_12
HRID 2267590 reaction equation
HRID 2267590As reactantuspto-grants-2010_12
HRID 2267591 reaction equation
HRID 2267591As reactantuspto-grants-2010_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes