3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(5-{[[2-(ethylthio)ethyl](methyl)amino]methyl}-3-thienyl)-1H-indole-7-carboxamide
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Basic information
- Standard SMILES
CCSCCN(C)Cc1cc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)cs1- InChIKey
YIIRXRMFWKJTCW-UHFFFAOYSA-N- Molecular formula
- C26H36N4O3S3
- Average molar mass
- 548.8 g/mol
- Monoisotopic mass
- 548.19495454
Names & identifiers
- Preferred name
- 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(5-{[[2-(ethylthio)ethyl](methyl)amino]methyl}-3-thienyl)-1H-indole-7-carboxamide
- IUPAC
- 5-[5-[[2-ethylsulfanylethyl(methyl)amino]methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL553472YIIRXRMFWKJTCW-UHFFFAOYSA-N3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(5-{[[2-(ethylthio)ethyl](methyl)amino]methyl}-3-thienyl)-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732850
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 831
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Related reactions
2 records
Compound notes
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