methyl 2-{[(4-methoxyphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Basic information
- CAS
302803-20-9- Standard SMILES
COC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc2c1CCC2- InChIKey
DPCYOAPCAYFOMN-UHFFFAOYSA-N- Molecular formula
- C18H19NO5S
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.09839388
Names & identifiers
- Preferred name
- methyl 2-{[(4-methoxyphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- English name
- methyl 2-{[(4-methoxyphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- Molecular formula
- C18H19NO5S
- Molecular weight
- 361.41
Names & synonyms
methyl 2-{[(4-methoxyphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateOprea1_157169Oprea1_301595SCHEMBL8290673AKOS002270393methyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateEU-0071085ST50187907AF-399/13428275SR-01000429752SR-01000429752-1302803-20-9
Show more names
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(4-methoxyphenoxy)acetyl]amino]-, methyl ester
methyl 2-(2-(4-methoxyphenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylatemethyl 2-[2-(4-methoxyphenoxy)acetylamino]-4,5,6-trihydrocyclopenta[2,1-b]thio phene-3-carboxylate
Database identifiers
- CAS
302803-20-9- PubChem CID
- 978706
- EC Number
- 144-676-6
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 612.7 · 612.7±55.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 12.29 · 12.29±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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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