(E)-2-(4-chlorophenoxy)-N-(2-oxo-2-(2-(thiophen-2-ylmethylene)hydrazinyl)ethyl)acetamide
Basic information
- CAS
391884-55-2- Standard SMILES
O=C(COc1ccc(Cl)cc1)NCC(=O)N/N=C/c1cccs1- InChIKey
HIKRFOPSYWRBKE-QGMBQPNBSA-N- Molecular formula
- C15H14ClN3O3S
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.0444402
Names & identifiers
- Preferred name
- (E)-2-(4-chlorophenoxy)-N-(2-oxo-2-(2-(thiophen-2-ylmethylene)hydrazinyl)ethyl)acetamide
- IUPAC
- 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
Names & synonyms
391884-55-2(E)-2-(4-chlorophenoxy)-N-(2-oxo-2-(2-(thiophen-2-ylmethylene)hydrazinyl)ethyl)acetamide2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide2-(4-chlorophenoxy)-N-({N'-[(1E)-(thiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)acetamideMLS000683133CHEMBL3212897DTXSID001324172AKOS024578503SMR000322958SR-01000006414SR-01000006414-1F0474-0646
Show more names
2-(4-Chlorophenoxy)-N-(2-oxo-2-{(2E)-2-[(thiophen-2-yl)methylidene]hydrazinyl}ethyl)acetamide
Database identifiers
- CAS
391884-55-2- PubChem CID
- 9658151
- DTXSID
DTXSID001324172- ChEMBL
CHEMBL3212897
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
Solubility1.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…