Basic information
- CAS
876286-38-3- Standard SMILES
Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CCC3CCCCC3)cc2)no1- InChIKey
GNCFXGPQJIZCSN-UHFFFAOYSA-N- Molecular formula
- C20H26N4O4S2
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.13954767
Names & identifiers
- Preferred name
- 4-({[(3-cyclohexylpropanoyl)amino]carbothioyl}amino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
- IUPAC
- 3-cyclohexyl-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]propanamide
- English name
- 3-cyclohexyl-N-{[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]carbonothioyl}propanamide
- Molecular formula
- C20H26N4O4S2
- Molecular weight
- 450.57
Names & synonyms
3-cyclohexyl-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]propanamide4-({[(3-cyclohexylpropanoyl)amino]carbothioyl}amino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide3-cyclohexyl-N-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamothioyl)propanamideSTK234670AKOS000501227AN-329/433859403-cyclohexyl-N-{[(4-{[(5-methylisoxazol-3-yl)amino]sulfonyl}phenyl)amino]carbonothioyl}propanamideCyclohexanepropanamide, N-[[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]thioxomethyl]-3-cyclohexyl-N-{[(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)amino]carbonothioyl}propanamide
Database identifiers
- CAS
876286-38-3- PubChem CID
- 4934361
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 683
Physicochemical properties
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- pka
- 5.56 · 5.56±0.50(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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