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Compound
N-(2-aminophenyl)-4-[3-[(4-methylphenyl)sulfonylamino]prop-1-enyl]benzamide
HCID
68978301
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Basic information
Standard SMILES
Cc1ccc(S(=O)(=O)NCC=Cc2ccc(C(=O)Nc3ccccc3N)cc2)cc1
InChIKey
YPRROXWPVNNEJG-UHFFFAOYSA-N
Molecular formula
C23H23N3O3S
Average molar mass
421.5 g/mol
Names & identifiers
Preferred name
N-(2-aminophenyl)-4-[3-[(4-methylphenyl)sulfonylamino]prop-1-enyl]benzamide
IUPAC
N-(2-aminophenyl)-4-[3-[(4-methylphenyl)sulfonylamino]prop-1-enyl]benzamide
Names & synonyms
SCHEMBL4260683
Database identifiers
PubChem CID
68978301
Properties
Computed structural properties
XLogP
3.5
Topological polar surface area
110 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Formal charge
0
Complexity
672
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Related reactions
1 records
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As solvent
HRID
201411
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
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