Basic information
- Standard SMILES
CCCC(C)NCc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)s1- InChIKey
QSGJLLOLSQVWSQ-UHFFFAOYSA-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-{[(1-methylbutyl)amino]methyl}-2-thienyl)-1H-indole-7-carboxamide
- IUPAC
- 3-(1-ethylsulfonylpiperidin-4-yl)-5-[5-[(pentan-2-ylamino)methyl]thiophen-2-yl]-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL552794QSGJLLOLSQVWSQ-UHFFFAOYSA-N3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(5-{[(1-methylbutyl)amino]methyl}-2-thienyl)-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732756
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 812
Related reactions
3 records
Compound notes
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