2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide
Basic information
- CAS
5702-56-7- Standard SMILES
CCc1c(C)sc(NC(=O)C(C)Oc2cccc(Cl)c2)c1C#N- InChIKey
XWPQDGJIVGEFNV-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O2S
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.0699267
Names & identifiers
- Preferred name
- 2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide
- IUPAC
- 2-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamide
Names & synonyms
5702-56-72-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)propanamideDTXSID90391434RefChem:251472DTXCID003422952-(3-chlorophenoxy)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)propanamideCBMicro_028755Cambridge id 5702567Oprea1_321254STK418889AKOS003254103AKOS022166302
Show more names
BIM-0028711.P001AB00094017-01AK-968/11990633
Database identifiers
- CAS
5702-56-7- PubChem CID
- 3321179
- DTXSID
DTXSID90391434
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…