Basic information
- CAS
588678-81-3- Standard SMILES
CC(C)(C)C1CCc2c(sc(N)c2C(=O)NCc2ccco2)C1- InChIKey
DQGGBGSWOOCOBQ-UHFFFAOYSA-N- Molecular formula
- C18H24N2O2S
- Average molar mass
- 332.5 g/mol
Names & identifiers
- Preferred name
- 2-amino-6-tert-butyl-N-(2-furylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- 2-amino-6-tert-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- English name
- 2-Amino-6-tert-butyl-N-(2-furylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- Molecular formula
- C18H24N2O2S
- Molecular weight
- 332.46
Names & synonyms
588678-81-32-amino-6-tert-butyl-N-(2-furylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-amino-6-tert-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-Amino-6-(tert-butyl)-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamideMFCD034226972-amino-6-tert-butyl-N-[(furan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideOprea1_810013ALBB-002013BBL016838STK435914AKOS003330446AKOS017258557
Show more names
Benzo[b]thiophene-3-carboxamide, 2-amino-6-(1,1-dimethylethyl)-N-(2-furanylmethyl)-4,5,6,7-tetrahydro-
SB61988VS-05614CS-0317586ST50843348H218852-amino-6-tert-butyl-N-(2-furylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide[2-amino-6-(tert-butyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)]-N-(2-furylme thyl)carboxamide
Database identifiers
- CAS
588678-81-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Boiling point
- 484.3 · 484.3±45.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- pka
- 14 · 14.00±0.40(Predicted)
Chemistry & industry
Suppliers5 total
COMBI-BLOCKS[email protected]
常州欣特科化工有限公司-
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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