methyl 2-{[(4-chloro-3-methylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Basic information
- CAS
302803-24-3- Standard SMILES
COC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)sc2c1CCC2- InChIKey
QITXDVUNXUWCMJ-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO4S
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 379.0645069
Names & identifiers
- Preferred name
- methyl 2-{[(4-chloro-3-methylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- methyl 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- English name
- methyl 2-{[(4-chloro-3-methylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- Molecular formula
- C18H18ClNO4S
- Molecular weight
- 379.85782
Names & synonyms
methyl 2-{[(4-chloro-3-methylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylatemethyl 2-(2-(4-chloro-3-methylphenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylatemethyl 2-[2-(4-chloro-3-methylphenoxy)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateCBKinase1_001080CBKinase1_013480Oprea1_487118Oprea1_719114AKOS001624479methyl 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateEU-0071095ST50187910AF-399/13428278
Show more names
SR-01000429756SR-01000429756-1BRD-K68723753-001-01-8302803-24-3methyl 2-[2-(4-chloro-3-methylphenoxy)acetylamino]-4,5,6-trihydrocyclopenta[2, 1-b]thiophene-3-carboxylate
Database identifiers
- CAS
302803-24-3
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 505
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, P273, P280, P305+P351+P338, P337+P317, 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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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