[2-(2-Methylpropylcarbamoylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Basic information
- CAS
5638-42-6- Standard SMILES
CC(C)CNC(=O)NC(=O)COC(=O)c1cc2c(s1)CCCC2- InChIKey
ORGGBZDHNOVZFY-UHFFFAOYSA-N- Molecular formula
- C16H22N2O4S
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.13002836
Names & identifiers
- Preferred name
- [2-(2-Methylpropylcarbamoylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
- IUPAC
- [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Names & synonyms
5638-42-6AC1NQHUODTXSID404111112-{[(2-Methylpropyl)carbamoyl]amino}-2-oxoethyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Database identifiers
- CAS
5638-42-6- PubChem CID
- 5221935
- DTXSID
DTXSID40411111
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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