C176H178N32O35P2S7 — CID 157064241
3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[2-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(dimethoxyphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonylmethyl)phenyl]ethanone;1-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]propan-2-one;[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylmethyl-ethoxyphosphinic acid;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (PubChem CID 157064241) has the molecular formula C176H178N32O35P2S7 and a molecular weight of 3587.97 g/mol. Its IUPAC name is 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[2-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(dimethoxyphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonylmethyl)phenyl]ethanone;1-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]propan-2-one;[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylmethyl-ethoxyphosphinic acid;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.
| Compound Name | 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[2-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(dimethoxyphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonylmethyl)phenyl]ethanone;1-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]propan-2-one;[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylmethyl-ethoxyphosphinic acid;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide |
|---|---|
| PubChem CID | 157064241 |
| Molecular Formula | C176H178N32O35P2S7 |
| Molecular Weight | 3587.97 g/mol |
| Exact Mass | 3585.07 |
| IUPAC Name | 3-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;4-[6-[2-[4-(acetylsulfamoyl)phenyl]acetyl]-5-aminopyrazin-2-yl]benzamide;N-[4-[2-[3-amino-6-[4-[(dimethylamino)methyl]phenyl]pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(dimethoxyphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonylmethyl)phenyl]ethanone;1-[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]propan-2-one;[4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylmethyl-ethoxyphosphinic acid;N-[4-[2-[3-amino-6-(4-pyrrolidin-2-ylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide |
| SMILES | CC(=O)Cc1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C(N)=O)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C4CCCN4)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(CN(C)C)cc3)cnc2N)cc1.CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3cccc(C(N)=O)c3)cnc2N)cc1.CCOP(=O)(O)CS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1.COP(=O)(CS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1)OC.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(CS(C)(=O)=O)cc3)n2)cc1 |
| InChI | InChI=1S/C24H25N5O4S.C23H25N5O4S.2C22H24N3O6PS.C22H21N3O2.2C21H19N5O5S.C21H21N3O3S/c1-15(30)29-34(32,33)19-10-4-16(5-11-19)13-22(31)23-24(25)27-14-21(28-23)18-8-6-17(7-9-18)20-3-2-12-26-20;1-15(29)27-33(31,32)19-10-6-16(7-11-19)12-21(30)22-23(24)25-13-20(26-22)18-8-4-17(5-9-18)14-28(2)3;1-15-4-8-17(9-5-15)19-13-24-22(23)21(25-19)20(26)12-16-6-10-18(11-7-16)33(28,29)14-32(27,30-2)31-3;1-3-31-32(27,28)14-33(29,30)18-10-6-16(7-11-18)12-20(26)21-22(23)24-13-19(25-21)17-8-4-15(2)5-9-17;1-14-3-9-18(10-4-14)19-13-24-22(23)21(25-19)20(27)12-17-7-5-16(6-8-17)11-15(2)26;1-12(27)26-32(30,31)16-8-2-13(3-9-16)10-18(28)19-20(22)24-11-17(25-19)14-4-6-15(7-5-14)21(23)29;1-12(27)26-32(30,31)16-7-5-13(6-8-16)9-18(28)19-20(22)24-11-17(25-19)14-3-2-4-15(10-14)21(23)29;1-14-3-9-17(10-4-14)18-12-23-21(22)20(24-18)19(25)11-15-5-7-16(8-6-15)13-28(2,26)27/h4-11,14,20,26H,2-3,12-13H2,1H3,(H2,25,27)(H,29,30);4-11,13H,12,14H2,1-3H3,(H2,24,25)(H,27,29);4-11,13H,12,14H2,1-3H3,(H2,23,24);4-11,13H,3,12,14H2,1-2H3,(H2,23,24)(H,27,28);3-10,13H,11-12H2,1-2H3,(H2,23,24);2-9,11H,10H2,1H3,(H2,22,24)(H2,23,29)(H,26,27);2-8,10-11H,9H2,1H3,(H2,22,24)(H2,23,29)(H,26,27);3-10,12H,11,13H2,1-2H3,(H2,22,23) |
| InChIKey | ABRMFCUUBDDDKK-UHFFFAOYSA-N |
| XLogP | 20.27 |
| TPSA | 1106.92 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 60 |
| Rotatable Bonds | 59 |
| Heavy Atoms | 252 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3587.97 |
| LogP ≤ 5 | 20.27 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 60 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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