N-(4-Carbamimidoylphenyl)-Nalpha-(4-methylbenzene-1-sulfonyl)phenylalaninamide
Basic information
- CAS
92953-67-8- Standard SMILES
Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(C(=N)N)cc2)cc1- InChIKey
BYJKCMHVXUDQPJ-UHFFFAOYSA-N- Molecular formula
- C23H24N4O3S
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.15691181
Names & identifiers
- Preferred name
- N-(4-Carbamimidoylphenyl)-Nalpha-(4-methylbenzene-1-sulfonyl)phenylalaninamide
- IUPAC
- N-(4-carbamimidoylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
Names & synonyms
92953-67-8DTXSID20918850N-(4-Carbamimidoylphenyl)-Nalpha-(4-methylbenzene-1-sulfonyl)phenylalaninamideRefChem:1091260DTXCID7013477934'-Amidino-alpha-(p-toluenesulfonamido)hydrocinnamanilideHydrocinnamanilide, 4'-amidino-alpha-(p-toluenesulfonamido)-Benzenepropanamide, N-(4-(aminoiminomethyl)phenyl)-alpha-(((4-methylphenyl)sulfonyl)amino)-
Database identifiers
- CAS
92953-67-8- PubChem CID
- 64918
- DTXSID
DTXSID20918850
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 699
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Compound notes
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