3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(5-{[(1-methylethyl)amino]methyl}-2-thienyl)-1H-indole-7-carboxamide
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Basic information
- Standard SMILES
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(CNC(C)C)s4)cc23)CC1- InChIKey
AEVRMSPNMGXSRU-UHFFFAOYSA-N- Molecular formula
- C24H32N4O3S2
- Average molar mass
- 488.7 g/mol
Names & identifiers
- Preferred name
- 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(5-{[(1-methylethyl)amino]methyl}-2-thienyl)-1H-indole-7-carboxamide
- IUPAC
- 3-(1-ethylsulfonylpiperidin-4-yl)-5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL551274AEVRMSPNMGXSRU-UHFFFAOYSA-N3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(5-{[(1-methylethyl)amino]methyl}-2-thienyl)-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732868
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 779
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Related reactions
3 records
Compound notes
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