(E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
Formula:C29H33N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide |
| MolecularFormula | C29H33N3O3S |
| Smiles | O=C(CN(CCN1CCOCC1)C(/C=C/c1ccccc1)=O)N(Cc1cccs1)Cc1ccccc1 |
| InChI | InChI=1S/C29H33N3O3S/c33-28(14-13-25-8-3-1-4-9-25)31(16-15-30-17-19-35-20-18-30)24-29(34)32(23-27-12-7-21-36-27)22-26-10-5-2-6-11-26/h1-14,21H,15-20,22-24H2 |
| InChIK | KRRVVFXTPGRICE-UHFFFAOYSA-N |
| TotalMolweight | 503.665 |
| Molweight | 503.665 |
| MonoisotopicMass | 503.224262 |
| CLogP | 3.4159 |
| CLogS | -3.18 |
| H Acceptors | 6 |
| TotalSurfaceArea | 401.96 |
| Relative PSA | 0.16691 |
| PolarSurfaceArea | 81.33 |
| Druglikeness | 3.9531 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide | 2 - (E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
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