C141H168F3N19O29S9 — CID 159099674
4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2-methylphenyl]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-(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 159099674) has the molecular formula C141H168F3N19O29S9 and a molecular weight of 2938.60 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2-methylphenyl]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-(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 | 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2-methylphenyl]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-(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 | 159099674 |
| Molecular Formula | C141H168F3N19O29S9 |
| Molecular Weight | 2938.60 g/mol |
| Exact Mass | 2935.97 |
| IUPAC Name | 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2-methylphenyl]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-(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)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)Nc2cccc(OCC3CC3)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(-c2ccco2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1 |
| InChI | InChI=1S/C22H24N2O4S.C21H25N3O4S.C21H26N2O4S.2C20H27N3O5S2.C20H21N3O4S.C17H18F3N3O3S/c1-15-14-17(20-6-5-13-28-20)9-12-19(15)23-21(25)16-7-10-18(11-8-16)24-29(26,27)22(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/h5-14,24H,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 | KDCTYYUZVFDSPA-UHFFFAOYSA-N |
| XLogP | 27.28 |
| TPSA | 700.83 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 201 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2938.60 |
| LogP ≤ 5 | 27.28 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 31 |