N-[5-(2-Sulfanylacetamido)pentyl]quinoline-3-carboxamide
Basic information
- CAS
828920-10-1- Standard SMILES
O=C(CS)NCCCCCNC(=O)c1cnc2ccccc2c1- InChIKey
LJDSLEQUCLIFDM-UHFFFAOYSA-N- Molecular formula
- C17H21N3O2S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.13544809
Names & identifiers
- Preferred name
- N-[5-(2-Sulfanylacetamido)pentyl]quinoline-3-carboxamide
- IUPAC
- N-[5-[(2-sulfanylacetyl)amino]pentyl]quinoline-3-carboxamide
Names & synonyms
828920-10-1N-(5-(2-Mercaptoacetamido)pentyl)quinoline-3-carboxamideCHEMBL181240SCHEMBL1365690DTXSID30658654N-[5-(2-Sulfanylacetamido)pentyl]quinoline-3-carboxamide
Database identifiers
- CAS
828920-10-1- PubChem CID
- 44389596
- DTXSID
DTXSID30658654- ChEMBL
CHEMBL181240
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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