Basic information
- Standard SMILES
CCc1c(-c2cc(Cl)cn(C)c2=O)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C- InChIKey
LQUAGFAEXBYBOU-KKSFZXQISA-N- Molecular formula
- C27H30Cl2N4O6S2
- Average molar mass
- 641.6 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[3-(5-chloro-1-methyl-2-oxo-1,2-dihydro-pyridin-3-yl)-2-ethyl-benzenesulfonylamino]-3-((S)-3-methyl-morpholin-4-yl)-3-oxo-propyl]-amide
- IUPAC
- 5-chloro-N-[(2S)-2-[[3-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-2-ethylphenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide
Names & synonyms
SCHEMBL1770320LQUAGFAEXBYBOU-KKSFZXQISA-N5-Chloro-thiophene-2-carboxylic acid [(S)-2-[3-(5-chloro-1-methyl-2-oxo-1,2-dihydro-pyridin-3-yl)-2-ethyl-benzenesulfonylamino]-3-((S)-3-methyl-morpholin-4-yl)-3-oxo-propyl]-amide
Database identifiers
- PubChem CID
- 44200977
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
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