Basic information
- Standard SMILES
C=CCC(C(=O)N(CC=C)[C@H](CN1CCCC1)c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1- InChIKey
MQBSLGIJPFHJAL-YPJJGMIRSA-N- Molecular formula
- C30H39N3O3S
- Average molar mass
- 521.7 g/mol
Names & identifiers
- Preferred name
- 2-[3-(Pyrrolidine-1-sulfonyl)-phenyl]-pent-4-enoic acid allyl-(1-(S)-phenyl-2-pyrrolidin-1-yl-ethyl)-amide
- IUPAC
- N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-N-prop-2-enyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)pent-4-enamide
Names & synonyms
SCHEMBL6277948MQBSLGIJPFHJAL-YPJJGMIRSA-N2-[3-(Pyrrolidine-1-sulfonyl)-phenyl]-pent-4-enoic acid allyl-(1-(S)-phenyl-2-pyrrolidin-1-yl-ethyl)-amide
Database identifiers
- PubChem CID
- 69730439
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 852
Related reactions
2 records
Compound notes
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