Basic information
- Standard SMILES
CCc1c(N2CCOCC2=O)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCO[C@H](C)C1- InChIKey
ANDJKXQASOLJOK-AEFFLSMTSA-N- Molecular formula
- C25H31ClN4O7S2
- Average molar mass
- 599.1 g/mol
- Monoisotopic mass
- 598.1322694
Names & identifiers
- Preferred name
- 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonylamino]-3-((R)-2-methyl-morpholin-4-yl)-3-oxo-propyl]-amide
- IUPAC
- 5-chloro-N-[(2S)-2-[[2-ethyl-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-[(2R)-2-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide
Names & synonyms
SCHEMBL1771428ANDJKXQASOLJOK-AEFFLSMTSA-N5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonylamino]-3-((R)-2-methyl-morpholin-4-yl)-3-oxo-propyl]-amide
Database identifiers
- PubChem CID
- 44200857
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 997
Related reactions
2 records
Compound notes
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