N-[(4-tert-butylphenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
Basic information
- CAS
5400-12-4- Standard SMILES
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(C(C)(C)C)cc2)c1- InChIKey
NYPUPDLTZQGSQX-UHFFFAOYSA-N- Molecular formula
- C22H29N3O5S
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.18279221
Names & identifiers
- Preferred name
- N-[(4-tert-butylphenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
- IUPAC
- N-[(4-tert-butylphenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
Names & synonyms
5400-12-4DTXSID50411228N-(2-{2-[(4-tert-Butylphenyl)methylidene]hydrazin-1-yl}-2-oxoethyl)-2,5-dimethoxy-N-methylbenzene-1-sulfonamideN-(2-{2-[(4-tert-Butylphenyl)methylidene]hydrazinyl}-2-oxoethyl)-2,5-dimethoxy-N-methylbenzene-1-sulfonamide
Database identifiers
- CAS
5400-12-4- PubChem CID
- 5223398
- DTXSID
DTXSID50411228
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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