Basic information
- CAS
179556-37-7- Standard SMILES
CCCc1cccnc1N(CC)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1- InChIKey
GRQJNHIADXGQDT-UHFFFAOYSA-N- Molecular formula
- C25H33N5O3S
- Average molar mass
- 483.6 g/mol
- Monoisotopic mass
- 483.23041111
Names & identifiers
- Preferred name
- 4-Piperidinamine, N-ethyl-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-N-(3-propyl-2-pyridinyl)-
- IUPAC
- N-[2-[4-[ethyl-(3-propyl-2-pyridinyl)amino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Names & synonyms
179556-37-74-Piperidinamine, N-ethyl-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-N-(3-propyl-2-pyridinyl)-N-(2-(1-(4-(Ethyl-(3-propyl-pyridin-2-yl)-amino)-piperidin-1-yl)-methanoyl)-1H-indol-5-yl)-methanesulfonamide4-Piperidinamine, N-ethyl-1-[[5-[(methylsulfonyl)amino]-1H-indol-2-yl]carbonyl]-N-(3-propyl-2-pyridinyl)-N-[2-(1-{4-[Ethyl-(3-propyl-pyridin-2-yl)-amino]-piperidin-1-yl}-methanoyl)-1H-indol-5-yl]-methanesulfonamideRefChem:295586CHEMBL132883DTXSID50939235BDBM50081630N-(2-{4-[Ethyl(3-propylpyridin-2-yl)amino]piperidine-1-carbonyl}-1H-indol-5-yl)methanesulfonamideN-(2-{4-[Ethyl-(3-propyl-pyridin-2-yl)-amino]-piperidine-1-carbonyl}-1H-indol-5-yl)-methanesulfonamideN-[2-[4-[ethyl-(3-propyl-2-pyridyl)amino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Database identifiers
- CAS
179556-37-7- PubChem CID
- 484348
- DTXSID
DTXSID50939235- ChEMBL
CHEMBL132883- Nikkaji
- J1.205.315K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 780
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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