C206H254F3N29O43S14 — CID 157230460
N-tert-butyl-4-[[4-(tert-butylsulfonylamino)benzoyl]amino]benzamide;4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-5-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 157230460) has the molecular formula C206H254F3N29O43S14 and a molecular weight of 4330.39 g/mol. Its IUPAC name is N-tert-butyl-4-[[4-(tert-butylsulfonylamino)benzoyl]amino]benzamide;4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-5-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide.
| Compound Name | N-tert-butyl-4-[[4-(tert-butylsulfonylamino)benzoyl]amino]benzamide;4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-5-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide |
|---|---|
| PubChem CID | 157230460 |
| Molecular Formula | C206H254F3N29O43S14 |
| Molecular Weight | 4330.39 g/mol |
| Exact Mass | 4326.46 |
| IUPAC Name | N-tert-butyl-4-[[4-(tert-butylsulfonylamino)benzoyl]amino]benzamide;4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-5-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide |
| SMILES | CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccno3)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cn2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCC3CC3)c2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1.CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CC(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c1.Cc1cc(-c2ncco2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1 |
| InChI | InChI=1S/2C22H29N3O5S2.C22H29N3O4S.C21H23N3O4S.C21H25N3O4S.C21H26N2O4S.2C20H27N3O5S2.C20H21N3O4S.C17H18F3N3O3S/c1-22(2,3)32(29,30)24-19-9-7-17(8-10-19)21(26)23-18-11-13-20(14-12-18)31(27,28)25-15-5-4-6-16-25;1-22(2,3)32(29,30)24-18-12-10-17(11-13-18)21(26)23-19-8-7-9-20(16-19)31(27,28)25-14-5-4-6-15-25;1-21(2,3)24-20(27)16-7-11-17(12-8-16)23-19(26)15-9-13-18(14-10-15)25-30(28,29)22(4,5)6;1-14-13-16(20-22-11-12-28-20)7-10-18(14)23-19(25)15-5-8-17(9-6-15)24-29(26,27)21(2,3)4;1-21(2,3)29(27,28)23-17-8-6-15(7-9-17)20(26)22-16-10-12-18(13-11-16)24-14-4-5-19(24)25;1-21(2,3)28(25,26)23-17-11-9-16(10-12-17)20(24)22-18-5-4-6-19(13-18)27-14-15-7-8-15;1-14(2)22-29(25,26)18-12-10-16(11-13-18)21-19(24)15-6-8-17(9-7-15)23-30(27,28)20(3,4)5;1-14(2)22-29(25,26)18-8-6-7-17(13-18)21-19(24)15-9-11-16(12-10-15)23-30(27,28)20(3,4)5;1-20(2,3)28(25,26)23-17-10-6-15(7-11-17)19(24)22-16-8-4-14(5-9-16)18-12-13-21-27-18;1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h7-14,24H,4-6,15-16H2,1-3H3,(H,23,26);7-13,16,24H,4-6,14-15H2,1-3H3,(H,23,26);7-14,25H,1-6H3,(H,23,26)(H,24,27);5-13,24H,1-4H3,(H,23,25);6-13,23H,4-5,14H2,1-3H3,(H,22,26);4-6,9-13,15,23H,7-8,14H2,1-3H3,(H,22,24);2*6-14,22-23H,1-5H3,(H,21,24);4-13,23H,1-3H3,(H,22,24);4-10,23H,1-3H3,(H,21,22,24) |
| InChIKey | AUASHBDOBBMTGZ-UHFFFAOYSA-N |
| XLogP | 37.99 |
| TPSA | 1043.39 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 57 |
| Heavy Atoms | 295 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4330.39 |
| LogP ≤ 5 | 37.99 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 46 |