(2R)-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)azetidine-2-carboxamide
Formula:C27H31N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)azetidine-2-carboxamide is a drug-like molecule.
| MolName | (2R)-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)azetidine-2-carboxamide |
| MolecularFormula | C27H31N3O4S |
| Smiles | O=C([C@@](CC1=O)(/C=C/c2ccccc2)N1c(cc1)ccc1S(N1CCCC1)(=O)=O)NC1CCCC1 |
| InChI | InChI=1S/C27H31N3O4S/c31-25-20-27(17-16-21-8-2-1-3-9-21,26(32)28-22-10-4-5-11-22)30(25)23-12-14-24(15-13-23)35(33,34)29-18-6-7-19-29/h1-3,8-9,12-17,22H,4-7,10-11,18-20H2,(H,28,32)/t27-/m0/s1 |
| InChIK | SERWFGDHQLZNLB-MHZLTWQESA-N |
| TotalMolweight | 493.626 |
| Molweight | 493.626 |
| MonoisotopicMass | 493.203527 |
| CLogP | 3.394 |
| CLogS | -4.673 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 361.91 |
| Relative PSA | 0.20232 |
| PolarSurfaceArea | 95.17 |
| Druglikeness | 3.7176 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 9 |
| Amides | 3 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2R)-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)azetidine-2-carboxamide | 2 - (2R)-N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)azetidine-2-carboxamide
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