N-(tetrahydro-2-furanylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Basic information
- CAS
380881-13-0- Standard SMILES
COc1cc(C(=O)Nc2sc3c(c2C(=O)NCC2CCCO2)CCCC3)cc(OC)c1OC- InChIKey
MDGSRRZINJQMRU-UHFFFAOYSA-N- Molecular formula
- C24H30N2O6S
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.18245785
Names & identifiers
- Preferred name
- N-(tetrahydro-2-furanylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- N-(oxolan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- English name
- N-(tetrahydro-2-furanylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- Molecular formula
- C24H30N2O6S
- Molecular weight
- 474.57
Names & synonyms
N-(tetrahydro-2-furanylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide380881-13-0BAS 03304700Oprea1_137147Oprea1_252078STK983326AKOS000528162AKOS016292871N-(oxolan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideAS-871/41369815Z57221426N-((tetrahydrofuran-2-yl)methyl)-2-(3,4,5-trimethoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Show more names
Benzo[b]thiophene-3-carboxamide, 4,5,6,7-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]-2-[(3,4,5-trimethoxybenzoyl)amino]-
N-(tetrahydrofuran-2-ylmethyl)-2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 667
Physicochemical properties
- Boiling point
- 581 · 581.0±50.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 12.09 · 12.09±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Compound notes
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