5-(Aminosulfonyl)-N-((1-ethyl-5-oxo-2-pyrrolidinyl)methyl)-2-methoxybenzamide
Basic information
- CAS
67381-53-7- Standard SMILES
CCN1C(=O)CCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC- InChIKey
VTTYWZFJMMRQGP-UHFFFAOYSA-N- Molecular formula
- C15H21N3O5S
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.12019195
Overview
metabolite of sulpiride; structure given in first source; RN given refers to parent cpd without isomeric designation
Names & identifiers
- Preferred name
- 5-(Aminosulfonyl)-N-((1-ethyl-5-oxo-2-pyrrolidinyl)methyl)-2-methoxybenzamide
- IUPAC
- N-[(1-ethyl-5-oxopyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
- English name
- N-((1-ethyl-5-oxo-2-pyrrolidinyl)methyl)-5-sulfamoyl-2-anisamide
- Molecular formula
- C15H21N3O5S
- Molecular weight
- 355.41
Names & synonyms
67381-53-7N-((1-Ethyl-5-oxo-2-pyrrolidinyl)methyl)-5-sulfamoyl-2-anisamide5-(Aminosulfonyl)-N-((1-ethyl-5-oxo-2-pyrrolidinyl)methyl)-2-methoxybenzamideNEPMSARefChem:161362N-(1'-Ethyl-2'-oxo-5'-pyrrolidinylmethyl)-2-methoxy-5-sulfamoylbenzamideDTXSID30986661Benzamide, 5-(aminosulfonyl)-N-((1-ethyl-5-oxo-2-pyrrolidinyl)methyl)-2-methoxy-N-[(1-Ethyl-5-oxopyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzene-1-carboximidic acidBenzamide, 5-(aminosulfonyl)-N-[(1-ethyl-5-oxo-2-pyrrolidinyl)methyl]-2-methoxy-
Database identifiers
- CAS
67381-53-7- PubChem CID
- 128772
- DTXSID
DTXSID30986661
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 574
Physicochemical properties
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 9.98 · 9.98±0.60(Predicted)
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Compound notes
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