Basic information
- Standard SMILES
CCN(Cc1cccn1C)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C- InChIKey
AOAFDVFWQCVUSP-UHFFFAOYSA-N- Molecular formula
- C23H28N4O4S
- Average molar mass
- 456.6 g/mol
Names & identifiers
- Preferred name
- N-Ethyl-2-[(6-methoxy-pyridin-3-yl)-(toluene-2-sulfonyl)-amino]-N-(1-methyl-1H-pyrrol-2-ylmethyl)-acetamide
- IUPAC
- N-ethyl-2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
Names & synonyms
SCHEMBL1040720AOAFDVFWQCVUSP-UHFFFAOYSA-NN-Ethyl-2-[(6-methoxy-pyridin-3-yl)-(toluene-2-sulfonyl)-amino]-N-(1-methyl-1H-pyrrol-2-ylmethyl)-acetamide
Database identifiers
- PubChem CID
- 58978451
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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