N-[1,4-dioxo-3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]naphthalen-2-yl]thiophene-2-sulfonamide
Formula:C26H23N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[1,4-dioxo-3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]naphthalen-2-yl]thiophene-2-sulfonamide is not a drug-like molecule.
| MolName | N-[1,4-dioxo-3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]naphthalen-2-yl]thiophene-2-sulfonamide |
| MolecularFormula | C26H23N3O4S2 |
| Smiles | O=C(c(cccc1)c1C1=O)C(NS(c2cccs2)(=O)=O)=C1N(CC1)CCN1/C=C/c1ccccc1 |
| InChI | InChI=1S/C26H23N3O4S2/c30-25-20-9-4-5-10-21(20)26(31)24(23(25)27-35(32,33)22-11-6-18-34-22)29-16-14-28(15-17-29)13-12-19-7-2-1-3-8-19/h1-13,18,27H,14-17H2 |
| InChIK | HZHAXIFSACAPSZ-UHFFFAOYSA-N |
| TotalMolweight | 505.618 |
| Molweight | 505.618 |
| MonoisotopicMass | 505.112997 |
| CLogP | 3.599 |
| CLogS | -4.834 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 362.32 |
| Relative PSA | 0.25828 |
| PolarSurfaceArea | 123.41 |
| Druglikeness | 3.0401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 2,3-diamino-quinone |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[1,4-dioxo-3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]naphthalen-2-yl]thiophene-2-sulfonamide | 2 - N-[1,4-dioxo-3-[4-[(E)-2-phenylethenyl]piperazin-1-yl]naphthalen-2-yl]thiophene-2-sulfonamide
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