N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-[(E)-2-phenylethenyl]sulfonylpropanamide
Formula:C22H20N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-[(E)-2-phenylethenyl]sulfonylpropanamide is a drug-like molecule.
| MolName | N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-[(E)-2-phenylethenyl]sulfonylpropanamide |
| MolecularFormula | C22H20N4O3S |
| Smiles | N#Cc1cccc(Cn2ncc(NC(CCS(/C=C/c3ccccc3)(=O)=O)=O)c2)c1 |
| InChI | InChI=1S/C22H20N4O3S/c23-14-19-7-4-8-20(13-19)16-26-17-21(15-24-26)25-22(27)10-12-30(28,29)11-9-18-5-2-1-3-6-18/h1-9,11,13,15,17H,10,12,16H2,(H,25,27) |
| InChIK | KGAHORAJHJSPMY-UHFFFAOYSA-N |
| TotalMolweight | 420.492 |
| Molweight | 420.492 |
| MonoisotopicMass | 420.125611 |
| CLogP | 1.5259 |
| CLogS | -4.052 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 328.02 |
| Relative PSA | 0.25755 |
| PolarSurfaceArea | 113.23 |
| Druglikeness | -3.0508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-[(E)-2-phenylethenyl]sulfonylpropanamide | 2 - N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-[(E)-2-phenylethenyl]sulfonylpropanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off