Basic information
- Standard SMILES
COC(=O)c1sccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1- InChIKey
YPWJCAFOBZGPLR-UHFFFAOYSA-N- Molecular formula
- C16H19NO4S2
- Average molar mass
- 353.5 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(4-tert-butylphenylsulfonamido)thiophene-2-carboxylate
- IUPAC
- methyl 3-[(4-tert-butylphenyl)sulfonylamino]thiophene-2-carboxylate
Names & synonyms
SCHEMBL2747919YPWJCAFOBZGPLR-UHFFFAOYSA-NAKOS001124060Z94608194Methyl 3-(4-tert-butylphenylsulfonamido)thiophene-2-carboxylate
Database identifiers
- PubChem CID
- 8015643
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 513
Related reactions
6 records
Compound notes
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