Basic information
- CAS
785814-03-1- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cccn1C- InChIKey
JRQMBZKONFLZDY-UHFFFAOYSA-N- Molecular formula
- C20H25N3O5S
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.15149208
Names & identifiers
- Preferred name
- [2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
- IUPAC
- [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
Names & synonyms
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylateMLS002248906CHEMBL1702289DTXSID501332360HMS3072E17AKOS033458099785814-03-1SMR001316363Z160355792-[2-Methyl-5-(piperidine-1-sulfonyl)anilino]-2-oxoethyl 1-methyl-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
785814-03-1- PubChem CID
- 3922700
- DTXSID
DTXSID501332360- ChEMBL
CHEMBL1702289
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 687
Experimental & physicochemical properties
Solubility9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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