methyl 2-{[(4-isopropylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Basic information
- CAS
302803-25-4- Standard SMILES
COC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1CCC2- InChIKey
WVNDQQXIUVZAGB-UHFFFAOYSA-N- Molecular formula
- C20H23NO4S
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.13477939
Names & identifiers
- Preferred name
- methyl 2-{[(4-isopropylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- methyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Names & synonyms
methyl 2-{[(4-isopropylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateOprea1_011480Oprea1_661418STK947932AKOS001624480methyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateAF-399/13428279SR-01000429757SR-01000429757-1methyl 2-({[4-(propan-2-yl)phenoxy]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylatemethyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Database identifiers
- CAS
302803-25-4- PubChem CID
- 978443
- EC Number
- 144-112-9
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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