N-[4-[(5-nitrothiophen-2-yl)methylideneamino]phenyl]acetamide
Basic information
- CAS
62128-05-6- Standard SMILES
CC(=O)Nc1ccc(N=Cc2ccc([N+](=O)[O-])s2)cc1- InChIKey
YPJSGOFADSMKNM-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3S
- Average molar mass
- 289.31 g/mol
- Monoisotopic mass
- 289.05211239
Names & identifiers
- Preferred name
- N-[4-[(5-nitrothiophen-2-yl)methylideneamino]phenyl]acetamide
- IUPAC
- N-[4-[(5-nitrothiophen-2-yl)methylideneamino]phenyl]acetamide
Names & synonyms
62128-05-6(E)-N-(4-(((5-nitrothiophen-2-yl)methylene)amino)phenyl)acetamideNSC234667N-[4-[(5-nitrothiophen-2-yl)methylideneamino]phenyl]acetamideCBMicro_013529DTXSID80310952N-(4-{[(5-nitro-2-thienyl)methylene]amino}phenyl)acetamideSMSF0004411MFCD00556697N-(4-{(E)-[(5-Nitrothiophen-2-yl)methylidene]amino}phenyl)acetamideSTK093880AKOS000485578
Show more names
CB05006NSC-234667BIM-0013469.P001ZINC000018142871ST45032630SR-01000198311CC(=O)Nc1ccc(cc1)N=Cc1ccc(s1)(N+)(=O)(O)SR-01000198311-1
Database identifiers
- CAS
62128-05-6- PubChem CID
- 314797
- DTXSID
DTXSID80310952
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 389
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Compound notes
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