C100H116N20O7S4 — CID 159058282
1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide (PubChem CID 159058282) has the molecular formula C100H116N20O7S4 and a molecular weight of 1838.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide.
| Compound Name | 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide |
|---|---|
| PubChem CID | 159058282 |
| Molecular Formula | C100H116N20O7S4 |
| Molecular Weight | 1838.43 g/mol |
| Exact Mass | 1836.82 |
| IUPAC Name | 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide |
| SMILES | C=S(C)(=O)Nc1ccc(-c2cnn(-c3ccnc(CCC)c3)c2)cc1.CCCc1cc(-n2cc(-c3ccc(NC(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)CC4CC4)cc3)cn2)ccn1 |
| InChI | InChI=1S/C21H24N4O2S.C20H22N4O2S.C20H24N4O2S.C20H24N4.C19H22N4OS/c1-2-3-20-12-21(10-11-22-20)25-14-18(13-23-25)17-6-8-19(9-7-17)24-28(26,27)15-16-4-5-16;1-2-3-18-12-19(10-11-21-18)24-14-16(13-22-24)15-4-6-17(7-5-15)23-27(25,26)20-8-9-20;1-4-5-19-12-20(10-11-21-19)24-14-17(13-22-24)16-6-8-18(9-7-16)23-27(25,26)15(2)3;1-4-5-19-12-20(10-11-21-19)24-14-17(13-22-24)16-6-8-18(9-7-16)23-15(2)3;1-4-5-18-12-19(10-11-20-18)23-14-16(13-21-23)15-6-8-17(9-7-15)22-25(2,3)24/h6-14,16,24H,2-5,15H2,1H3;4-7,10-14,20,23H,2-3,8-9H2,1H3;6-15,23H,4-5H2,1-3H3;6-15,23H,4-5H2,1-3H3;6-14H,2,4-5H2,1,3H3,(H,22,24) |
| InChIKey | JYDFOFAPSIDONA-UHFFFAOYSA-N |
| XLogP | 20.13 |
| TPSA | 333.19 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 131 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1838.43 |
| LogP ≤ 5 | 20.13 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
|---|