ethyl 4-{[(2-cyclohex-1-en-1-ylethyl)amino]sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Basic information
- CAS
1185075-78-8- Standard SMILES
CCOC(=O)c1c(C)c(S(=O)(=O)NCCC2=CCCCC2)c(C)n1C- InChIKey
UEYNVRJILPIIMK-UHFFFAOYSA-N- Molecular formula
- C18H28N2O4S
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.17697855
Names & identifiers
- Preferred name
- ethyl 4-{[(2-cyclohex-1-en-1-ylethyl)amino]sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
Names & synonyms
1185075-78-8ETHYL 4-{[2-(CYCLOHEX-1-EN-1-YL)ETHYL]SULFAMOYL}-1,3,5-TRIMETHYL-1H-PYRROLE-2-CARBOXYLATEethyl 4-{[(2-cyclohex-1-en-1-ylethyl)amino]sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylateDTXSID201118121HMS3488K02AKOS021793713ethyl 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylateEthyl 4-[[[2-(1-cyclohexen-1-yl)ethyl]amino]sulfonyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
1185075-78-8- PubChem CID
- 53005283
- DTXSID
DTXSID201118121
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 597
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Compound notes
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