3-{1-[(2-aminoethyl)sulfonyl]-4-piperidinyl}-5-phenyl-1H-indole-7-carboxamide
Basic information
- Standard SMILES
NCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1- InChIKey
AWEOCCDQVPBWPZ-UHFFFAOYSA-N- Molecular formula
- C22H26N4O3S
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- 3-{1-[(2-aminoethyl)sulfonyl]-4-piperidinyl}-5-phenyl-1H-indole-7-carboxamide
- IUPAC
- 3-[1-(2-aminoethylsulfonyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
Names & synonyms
CHEMBL4457925SCHEMBL3798388AWEOCCDQVPBWPZ-UHFFFAOYSA-NBDBM505073453-{1-[(2-aminoethyl)sulfonyl]-4-piperidinyl}-5-phenyl-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 11611619
- ChEMBL
CHEMBL4457925
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 696
Related reactions
2 records
Compound notes
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