C133H164F2N10O26S5 — CID 158622185
(2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(4-ethoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(4-ethoxyphenyl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-N-cyclopropylsulfonyl-4-(4-ethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-cyclohexyl-N-cyclopropylsulfonyl-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide (PubChem CID 158622185) has the molecular formula C133H164F2N10O26S5 and a molecular weight of 2517.15 g/mol. Its IUPAC name is (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(4-ethoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(4-ethoxyphenyl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-N-cyclopropylsulfonyl-4-(4-ethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-cyclohexyl-N-cyclopropylsulfonyl-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide.
| Compound Name | (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(4-ethoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(4-ethoxyphenyl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-N-cyclopropylsulfonyl-4-(4-ethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-cyclohexyl-N-cyclopropylsulfonyl-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide |
|---|---|
| PubChem CID | 158622185 |
| Molecular Formula | C133H164F2N10O26S5 |
| Molecular Weight | 2517.15 g/mol |
| Exact Mass | 2515.04 |
| IUPAC Name | (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(4-ethoxyphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(4-ethoxyphenyl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-N-cyclopropylsulfonyl-4-(4-ethylphenyl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-cyclohexyl-N-cyclopropylsulfonyl-2-methyl-4-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carboxamide |
| SMILES | CCCCOc1ccc([C@]2(C)CC(c3ccc(C(C)(C)C)cc3)=C(C(=O)NS(C)(=O)=O)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3ccc(CC)cc3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3ccc(OCC)cc3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccc(OCC)cc3)=C(C(=O)NS(C)(=O)=O)C(=O)N2)c(F)c1.Cc1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@](C)(C3CCCCC3)C2)cc1 |
| InChI | InChI=1S/C28H33FN2O6S.C28H34N2O5S.C28H36N2O5S.C26H31FN2O6S.C23H30N2O4S/c1-4-6-15-37-20-11-14-23(24(29)16-20)28(3)17-22(18-7-9-19(10-8-18)36-5-2)25(26(32)30-28)27(33)31-38(34,35)21-12-13-21;1-4-6-17-35-22-13-11-21(12-14-22)28(3)18-24(20-9-7-19(5-2)8-10-20)25(26(31)29-28)27(32)30-36(33,34)23-15-16-23;1-7-8-17-35-22-15-13-21(14-16-22)28(5)18-23(19-9-11-20(12-10-19)27(2,3)4)24(25(31)29-28)26(32)30-36(6,33)34;1-5-7-14-35-19-12-13-21(22(27)15-19)26(3)16-20(17-8-10-18(11-9-17)34-6-2)23(24(30)28-26)25(31)29-36(4,32)33;1-15-8-10-16(11-9-15)19-14-23(2,17-6-4-3-5-7-17)24-21(26)20(19)22(27)25-30(28,29)18-12-13-18/h7-11,14,16,21H,4-6,12-13,15,17H2,1-3H3,(H,30,32)(H,31,33);7-14,23H,4-6,15-18H2,1-3H3,(H,29,31)(H,30,32);9-16H,7-8,17-18H2,1-6H3,(H,29,31)(H,30,32);8-13,15H,5-7,14,16H2,1-4H3,(H,28,30)(H,29,31);8-11,17-18H,3-7,12-14H2,1-2H3,(H,24,26)(H,25,27)/t3*28-;26-;23-/m00000/s1 |
| InChIKey | HYDHSDWSBNJSNK-SJQUWLNNSA-N |
| XLogP | 19.74 |
| TPSA | 517.08 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 176 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2517.15 |
| LogP ≤ 5 | 19.74 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'} |
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