N-[(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide
Formula:C20H15N5O4S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C20H15N5O4S2 |
| Smiles | O=C(c1cccs1)N/N=C\c1ccc(-c(cc2)ccc2S(Nc2ncccn2)(=O)=O)o1 |
| InChI | InChI=1S/C20H15N5O4S2/c26-19(18-3-1-12-30-18)24-23-13-15-6-9-17(29-15)14-4-7-16(8-5-14)31(27,28)25-20-21-10-2-11-22-20/h1-13H,(H,24,26)(H,21,22,25) |
| InChIK | ZHCTYUJYKGJEIW-UHFFFAOYSA-N |
| TotalMolweight | 453.502 |
| Molweight | 453.502 |
| MonoisotopicMass | 453.056545 |
| CLogP | 3.1125 |
| CLogS | -5.791 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 329.7 |
| Relative PSA | 0.40176 |
| PolarSurfaceArea | 163.17 |
| Druglikeness | 9.6607 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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