N~2~-Butyl-N-[4-(4-nitrobenzene-1-sulfonyl)phenyl]glycinamide
Basic information
- CAS
60515-80-2- Standard SMILES
CCCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
HLDJRGGYFRAJEN-UHFFFAOYSA-N- Molecular formula
- C18H21N3O5S
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.12019195
Names & identifiers
- Preferred name
- N~2~-Butyl-N-[4-(4-nitrobenzene-1-sulfonyl)phenyl]glycinamide
- IUPAC
- 2-(butylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
Names & synonyms
60515-80-2NSC291627DTXSID50315050N~2~-Butyl-N-[4-(4-nitrobenzene-1-sulfonyl)phenyl]glycinamideNSC-291627
Database identifiers
- CAS
60515-80-2- PubChem CID
- 324840
- DTXSID
DTXSID50315050
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 583
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Compound notes
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