Basic information
- CAS
725226-64-2- Standard SMILES
Cc1ccc(CNC(=O)c2c(N)sc3c2CCC(C)C3)cc1- InChIKey
YUDADDRHNJOAIQ-UHFFFAOYSA-N- Molecular formula
- C18H22N2OS
- Average molar mass
- 314.4 g/mol
Names & identifiers
- Preferred name
- 2-amino-6-methyl-N-(4-methylbenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- 2-amino-6-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- English name
- 2-Amino-6-methyl-N-(4-methylbenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- Molecular formula
- C18H22N2OS
- Molecular weight
- 314.45
Names & synonyms
725226-64-22-amino-6-methyl-N-(4-methylbenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-Amino-6-methyl-N-(4-methylbenzyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide2-amino-6-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideMFCD03422666ALBB-001925BBL017470STK448406AKOS000349693AKOS017259159VS-06192CS-0317255
Show more names
Benzo[b]thiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro-6-methyl-N-[(4-methylphenyl)methyl]-
ST50856502H218202-amino-6-methyl-N-(p-tolylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide(2-amino-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl))-N-[(4-methylphenyl )methyl]carboxamide
Database identifiers
- CAS
725226-64-2
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Boiling point
- 496.7 · 496.7±45.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 14.41 · 14.41±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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