N-[4-[4-(3-carbamimidoylphenyl)butyl]phenyl]acetamide;4-methylbenzenesulfonic acid
Basic information
- CAS
24723-04-4- Standard SMILES
CC(=O)Nc1ccc(CCCCc2cccc(C(=N)N)c2)cc1.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
IKPILNHIBKUAMC-UHFFFAOYSA-N- Molecular formula
- C26H31N3O4S
- Average molar mass
- 481.6 g/mol
- Monoisotopic mass
- 481.20352765
Names & identifiers
- Preferred name
- N-[4-[4-(3-carbamimidoylphenyl)butyl]phenyl]acetamide;4-methylbenzenesulfonic acid
- IUPAC
- N-[4-[4-(3-carbamimidoylphenyl)butyl]phenyl]acetamide;4-methylbenzenesulfonic acid
Names & synonyms
24723-04-4NSC156605DTXSID50947658NSC-156605N-{4-[4-(3-Carbamimidoylphenyl)butyl]phenyl}ethanimidic acid--4-methylbenzene-1-sulfonic acid (1/1)
Database identifiers
- CAS
24723-04-4- PubChem CID
- 291402
- DTXSID
DTXSID50947658
Properties
Computed structural properties
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 594
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Compound notes
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