N-Tert-butyl-2-[2-(4-methoxybenzenesulfonamido)-N-(thiophen-2-ylmethyl)acetamido]-3-methylbutanamide
Basic information
- CAS
1219425-23-6- Standard SMILES
COc1ccc(S(=O)(=O)NCC(=O)N(Cc2cccs2)C(C(=O)NC(C)(C)C)C(C)C)cc1- InChIKey
IJJXLOJGGOFQGC-UHFFFAOYSA-N- Molecular formula
- C23H33N3O5S2
- Average molar mass
- 495.7 g/mol
- Monoisotopic mass
- 495.18616351
Names & identifiers
- Preferred name
- N-Tert-butyl-2-[2-(4-methoxybenzenesulfonamido)-N-(thiophen-2-ylmethyl)acetamido]-3-methylbutanamide
- IUPAC
- N-tert-butyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]-3-methylbutanamide
Names & synonyms
AKOS000707807ST50730440N-TERT-BUTYL-2-[2-(4-METHOXYBENZENESULFONAMIDO)-N-(THIOPHEN-2-YLMETHYL)ACETAMIDO]-3-METHYLBUTANAMIDE
Database identifiers
- CAS
1219425-23-6- PubChem CID
- 3206982
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 753
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…