2-{[(2,4-Dimethylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Basic information
- CAS
303033-36-5- Standard SMILES
Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)c1- InChIKey
IRKVQJPROLMWTE-UHFFFAOYSA-N- Molecular formula
- C19H22N2O3S
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.13511374
Names & identifiers
- Preferred name
- 2-{[(2,4-Dimethylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- English name
- 2(((2,4-Di-Me-phenoxy)Ac)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- Molecular formula
- C19H22N2O3S
- Molecular weight
- 358.46
Names & synonyms
2-{[(2,4-dimethylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideOprea1_553373Oprea1_565014AKOS000291694EU-0045169ST50189296AB00102955-01AE-641/14043030SR-01000495585SR-01000495585-12(((2,4-DI-ME-PHENOXY)AC)AMINO)4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE2-[2-(2,4-dimethylphenoxy)acetylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-c arboxamide
Show more names
Benzo[b]thiophene-3-carboxamide, 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-
2-[2-(2,4-DIMETHYLPHENOXY)ACETAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
Database identifiers
- CAS
303033-36-5- PubChem CID
- 978504
- EC Number
- 144-001-5
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Boiling point
- 562.09 · 562.090±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.654 · 12.654±0.20(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…