N-[(E)-3-(3-bromoanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
Basic information
- CAS
6054-89-3- Standard SMILES
O=C(Nc1cccc(Br)c1)/C(=C\c1cccs1)NC(=O)c1cccs1- InChIKey
PKEKJJNJPAKXEK-RVDMUPIBSA-N- Molecular formula
- C18H13BrN2O2S2
- Average molar mass
- 433.3 g/mol
- Monoisotopic mass
- 431.96018
Names & identifiers
- Preferred name
- N-[(E)-3-(3-bromoanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
- IUPAC
- N-[(E)-3-(3-bromoanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
Names & synonyms
6054-89-3N-[(E)-3-(3-bromoanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamideN-[1-{[(3-bromophenyl)amino]carbonyl}-2-(2-thienyl)vinyl]-2-thiophenecarboxamideAC1NT75EDTXSID80417410BIM-0043293.P001N-[(1E)-3-(3-Bromoanilino)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]thiophene-2-carboxamide
Database identifiers
- CAS
6054-89-3- PubChem CID
- 5347198
- DTXSID
DTXSID80417410
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 529
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Related reactions
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Compound notes
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