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3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(5-formyl-2-thienyl)-1H-indole-7-carboxamide

HCID 57732670
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(C=O)s4)cc23)CC1
InChIKey
XIZWHSXXXQOKCF-UHFFFAOYSA-N
Molecular formula
C21H23N3O4S2
Average molar mass
445.6 g/mol

Names & identifiers

Preferred name
3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(5-formyl-2-thienyl)-1H-indole-7-carboxamide
IUPAC
3-(1-ethylsulfonylpiperidin-4-yl)-5-(5-formylthiophen-2-yl)-1H-indole-7-carboxamide

Names & synonyms

SCHEMBL552374XIZWHSXXXQOKCF-UHFFFAOYSA-N3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(5-formyl-2-thienyl)-1H-indole-7-carboxamide

Database identifiers

PubChem CID
57732670

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
150 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Formal charge
0
Complexity
748

Related reactions

6 records
New reaction record
HRID 189232 reaction equation
HRID 189232As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 562022 reaction equation
HRID 562022As productuspto-grants-2011_11
HRID 562108 reaction equation
HRID 562108As reactantuspto-grants-2011_11
HRID 1236140 reaction equation
HRID 1236140As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1806210 reaction equation
HRID 1806210As productuspto-grants-2013_01
HRID 1806295 reaction equation
HRID 1806295As reactantuspto-grants-2013_01

Compound notes

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