N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide
Formula:C25H25N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide |
| MolecularFormula | C25H25N5O2S |
| Smiles | O=C([C@H](Cc1c[nH]c2c1cccc2)NC(c1cccs1)=O)N(CC1)CCN1c1ncccc1 |
| InChI | InChI=1S/C25H25N5O2S/c31-24(22-8-5-15-33-22)28-21(16-18-17-27-20-7-2-1-6-19(18)20)25(32)30-13-11-29(12-14-30)23-9-3-4-10-26-23/h1-10,15,17,21,27H,11-14,16H2,(H,28,31)/t21-/m0/s1 |
| InChIK | QXDXAVDEXKKLNC-NRFANRHFSA-N |
| TotalMolweight | 459.573 |
| Molweight | 459.573 |
| MonoisotopicMass | 459.172895 |
| CLogP | 3.0799 |
| CLogS | -4.218 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 347.01 |
| Relative PSA | 0.25924 |
| PolarSurfaceArea | 109.57 |
| Druglikeness | 10.519 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide | 2 - N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide
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