Methyl 4-phenyl-2-[(4-propoxybenzoyl)amino]-3-thiophenecarboxylate
Basic information
- CAS
350989-84-3- Standard SMILES
CCCOc1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)cc1- InChIKey
JKPPEVYDKKSGTB-UHFFFAOYSA-N- Molecular formula
- C22H21NO4S
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.11912932
Names & identifiers
- Preferred name
- Methyl 4-phenyl-2-[(4-propoxybenzoyl)amino]-3-thiophenecarboxylate
- IUPAC
- methyl 4-phenyl-2-[(4-propoxybenzoyl)amino]thiophene-3-carboxylate
Names & synonyms
METHYL 4-PHENYL-2-(4-PROPOXYBENZAMIDO)THIOPHENE-3-CARBOXYLATEOprea1_726155DTXSID601166403methyl 4-phenyl-2-[(4-propoxybenzoyl)amino]-3-thiophenecarboxylateSTK424230AKOS003267882350989-84-3ST50926251methyl 4-phenyl-2-[(4-propoxyphenyl)carbonylamino]thiophene-3-carboxylatemethyl 4-phenyl-2-{[(4-propoxyphenyl)carbonyl]amino}thiophene-3-carboxylate
Database identifiers
- CAS
350989-84-3- PubChem CID
- 4433558
- DTXSID
DTXSID601166403
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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