Basic information
- CAS
179556-66-2- Standard SMILES
CCc1cccnc1N(CC)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1- InChIKey
AIOYXDSLGYJJDT-UHFFFAOYSA-N- Molecular formula
- C24H31N5O3S
- Average molar mass
- 469.6 g/mol
- Monoisotopic mass
- 469.21476104
Names & identifiers
- Preferred name
- 4-Piperidinamine, N-ethyl-N-(3-ethyl-2-pyridinyl)-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-
- IUPAC
- N-[2-[4-[ethyl-(3-ethyl-2-pyridinyl)amino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Names & synonyms
179556-66-24-Piperidinamine, N-ethyl-N-(3-ethyl-2-pyridinyl)-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-4-Piperidinamine, N-ethyl-N-(3-ethyl-2-pyridinyl)-1-[[5-[(methylsulfonyl)amino]-1H-indol-2-yl]carbonyl]-RefChem:295589CHEMBL336807DTXSID30939238BDBM50081631N-(2-{4-[Ethyl(3-ethylpyridin-2-yl)amino]piperidine-1-carbonyl}-1H-indol-5-yl)methanesulfonamideN-(2-{4-[Ethyl-(3-ethyl-pyridin-2-yl)-amino]-piperidine-1-carbonyl}-1H-indol-5-yl)-methanesulfonamideN-[2-[4-[ethyl-(3-ethyl-2-pyridyl)amino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Database identifiers
- CAS
179556-66-2- PubChem CID
- 484347
- DTXSID
DTXSID30939238- ChEMBL
CHEMBL336807- Nikkaji
- J1.205.314B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 765
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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