3-[1-(ethylsulfonyl)-4-piperidinyl]-5-[5-({[(2S)-2-methylbutyl]amino}methyl)-2-thienyl]-1H-indole-7-carboxamide

HCID 57732700
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Basic information

Standard SMILES
CC[C@H](C)CNCc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)s1
InChIKey
ILSCBXJRBBQQHQ-KRWDZBQOSA-N
Molecular formula
C26H36N4O3S2
Average molar mass
516.7 g/mol
Monoisotopic mass
516.22288337

Names & identifiers

Preferred name
3-[1-(ethylsulfonyl)-4-piperidinyl]-5-[5-({[(2S)-2-methylbutyl]amino}methyl)-2-thienyl]-1H-indole-7-carboxamide
IUPAC
3-(1-ethylsulfonylpiperidin-4-yl)-5-[5-[[[(2S)-2-methylbutyl]amino]methyl]thiophen-2-yl]-1H-indole-7-carboxamide

Names & synonyms

SCHEMBL552315ILSCBXJRBBQQHQ-KRWDZBQOSA-N3-[1-(ethylsulfonyl)-4-piperidinyl]-5-[5-({[(2S)-2-methylbutyl]amino}methyl)-2-thienyl]-1H-indole-7-carboxamide

Database identifiers

PubChem CID
57732700

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
145 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
35

Related reactions

2 records
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Compound notes

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