N-(5-chloropyridin-2-yl)-2-pyridin-2-ylsulfanylbutanamide
Basic information
- CAS
6198-82-9- Standard SMILES
CCC(Sc1ccccn1)C(=O)Nc1ccc(Cl)cn1- InChIKey
VSMWDSFRFPGKEZ-UHFFFAOYSA-N- Molecular formula
- C14H14ClN3OS
- Average molar mass
- 307.8 g/mol
- Monoisotopic mass
- 307.0546109
Names & identifiers
- Preferred name
- N-(5-chloropyridin-2-yl)-2-pyridin-2-ylsulfanylbutanamide
- IUPAC
- N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylbutanamide
Names & synonyms
6198-82-9N-(5-chloropyridin-2-yl)-2-pyridin-2-ylsulfanyl-butanamideN-(5-chloropyridin-2-yl)-2-pyridin-2-ylsulfanylbutanamideChemDiv2_003545Cambridge id 6198829DTXSID00387449HMS1379B03AKOS000713575AKOS021993467CCG-107865IDI1_002260ST51175741
Show more names
AB00104124-01SR-01000450673SR-01000450673-1N-(5-chloro-2-pyridinyl)-2-(2-pyridinylthio)butanamideN-(5-CHLOROPYRIDIN-2-YL)-2-(PYRIDIN-2-YLSULFANYL)BUTANAMIDEN-(5-Chloropyridin-2-yl)-2-[(pyridin-2-yl)sulfanyl]butanamide
Database identifiers
- CAS
6198-82-9- PubChem CID
- 2890328
- DTXSID
DTXSID00387449
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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