2-(benzylamino)-N-[4-[4-[[2-(benzylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide
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Basic information
- CAS
6302-96-1- Standard SMILES
O=C(CNCc1ccccc1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CNCc3ccccc3)cc2)cc1- InChIKey
RTEGDEPCRDVVIQ-UHFFFAOYSA-N- Molecular formula
- C30H30N4O4S
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.19877662
Names & identifiers
- Preferred name
- 2-(benzylamino)-N-[4-[4-[[2-(benzylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide
- IUPAC
- 2-(benzylamino)-N-[4-[4-[[2-(benzylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide
- English name
- 2-(benzylamino)-N-[4-[4-[[2-(benzylamino)acetyl]amino]phenyl]sulfonylp henyl]acetamide
- Molecular formula
- C30H30N4O4S
- Molecular weight
- 542.65
Names & synonyms
6302-96-1NSC412382-(benzylamino)-N-[4-[4-[[2-(benzylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamideDTXSID60285270NSC-41238N,N'-[Sulfonyldi(4,1-phenylene)]bis[2-(benzylamino)acetamide]2-(Benzylamino)-N-[4-[4-[[2-(benzylamino)acetyl]amino]phenyl]sulfonylp henyl]acetamideAcetanilide, 4',4'''-sulfonylbis[2-(benzylamino)- (8CI)
Database identifiers
- CAS
6302-96-1- PubChem CID
- 237571
- DTXSID
DTXSID60285270
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 785
Physicochemical properties
- Boiling point
- 814.6 · 814.6±65.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- pka
- 12.6 · 12.60±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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