C118H186N23O27S9+ — CID 158361988
4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-2-ium-2-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 158361988) has the molecular formula C118H186N23O27S9+ and a molecular weight of 2647.52 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-2-ium-2-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-1-carboxamide.
| Compound Name | 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-2-ium-2-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-1-carboxamide |
|---|---|
| PubChem CID | 158361988 |
| Molecular Formula | C118H186N23O27S9+ |
| Molecular Weight | 2647.52 g/mol |
| Exact Mass | 2645.14 |
| IUPAC Name | 4-(tert-butylsulfonylamino)-N-[3-(cyclopropylmethoxy)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,2-oxazol-2-ium-2-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-(propan-2-ylsulfamoyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-1-carboxamide |
| SMILES | CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(-[n+]3ccco3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(OCC3CC3)c2)CC1.CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)NS(=O)(=O)c1cccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1 |
| InChI | InChI=1S/C21H34N4O5S2.C20H30N4O4S.C20H31N3O4S.2C19H32N4O5S2.C19H26N4O4S/c1-21(2,3)32(29,30)23-18-11-15-24(16-12-18)20(26)22-17-7-9-19(10-8-17)31(27,28)25-13-5-4-6-14-25;1-20(2,3)29(27,28)22-16-10-13-23(14-11-16)19(26)21-15-6-8-17(9-7-15)24-12-4-5-18(24)25;1-20(2,3)28(25,26)22-16-9-11-23(12-10-16)19(24)21-17-5-4-6-18(13-17)27-14-15-7-8-15;1-14(2)21-29(25,26)17-8-6-15(7-9-17)20-18(24)23-12-10-16(11-13-23)22-30(27,28)19(3,4)5;1-14(2)21-29(25,26)17-8-6-7-16(13-17)20-18(24)23-11-9-15(10-12-23)22-30(27,28)19(3,4)5;1-19(2,3)28(25,26)21-16-9-12-22(13-10-16)18(24)20-15-5-7-17(8-6-15)23-11-4-14-27-23/h7-10,18,23H,4-6,11-16H2,1-3H3,(H,22,26);6-9,16,22H,4-5,10-14H2,1-3H3,(H,21,26);4-6,13,15-16,22H,7-12,14H2,1-3H3,(H,21,24);6-9,14,16,21-22H,10-13H2,1-5H3,(H,20,24);6-8,13-15,21-22H,9-12H2,1-5H3,(H,20,24);4-8,11,14,16,21H,9-10,12-13H2,1-3H3/p+1 |
| InChIKey | QLSVBSGAVQLSSB-UHFFFAOYSA-O |
| XLogP | 14.74 |
| TPSA | 647.34 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 177 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2647.52 |
| LogP ≤ 5 | 14.74 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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