C194H235N29O20S3 — CID 160928898
2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate (PubChem CID 160928898) has the molecular formula C194H235N29O20S3 and a molecular weight of 3389.40 g/mol. Its IUPAC name is 2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate.
| Compound Name | 2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate |
|---|---|
| PubChem CID | 160928898 |
| Molecular Formula | C194H235N29O20S3 |
| Molecular Weight | 3389.40 g/mol |
| Exact Mass | 3386.74 |
| IUPAC Name | 2-amino-6-(benzenesulfonamido)-N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;tert-butyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate;N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]benzamide;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate |
| SMILES | CC(C)(C)OC(=O)NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccccc2)CC1.COc1ccc2c(c1)CCC(NC(=O)C(N)CCCCNS(=O)(=O)c1ccccc1)C2Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NC(=O)Oc2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1.O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NCC(Cc1cccnc1)c1ccccc1 |
| InChI | InChI=1S/C29H36N4O4S.C28H33N5O2.C28H34N4O3S.C28H32N4O3.C28H32N4O2.C27H32N4O3S.C26H36N4O3/c1-37-23-13-14-25-22(19-23)12-15-28(26(25)18-21-8-7-16-31-20-21)33-29(34)27(30)11-5-6-17-32-38(35,36)24-9-3-2-4-10-24;34-27(30-20-24(23-9-3-1-4-10-23)18-22-8-7-15-29-19-22)21-33-16-13-26(14-17-33)32-28(35)31-25-11-5-2-6-12-25;29-26(14-6-7-18-31-36(34,35)23-11-2-1-3-12-23)28(33)32-27-16-15-22-10-4-5-13-24(22)25(27)19-21-9-8-17-30-20-21;33-27(30-20-24(23-9-3-1-4-10-23)18-22-8-7-15-29-19-22)21-32-16-13-25(14-17-32)31-28(34)35-26-11-5-2-6-12-26;33-27(21-32-16-13-26(14-17-32)31-28(34)24-11-5-2-6-12-24)30-20-25(23-9-3-1-4-10-23)18-22-8-7-15-29-19-22;32-27(29-20-24(23-9-3-1-4-10-23)18-22-8-7-15-28-19-22)21-31-16-13-25(14-17-31)30-35(33,34)26-11-5-2-6-12-26;1-26(2,3)33-25(32)29-23-11-14-30(15-12-23)19-24(31)28-18-22(21-9-5-4-6-10-21)16-20-8-7-13-27-17-20/h2-4,7-10,13-14,16,19-20,26-28,32H,5-6,11-12,15,17-18,30H2,1H3,(H,33,34);1-12,15,19,24,26H,13-14,16-18,20-21H2,(H,30,34)(H2,31,32,35);1-5,8-13,17,20,25-27,31H,6-7,14-16,18-19,29H2,(H,32,33);1-12,15,19,24-25H,13-14,16-18,20-21H2,(H,30,33)(H,31,34);1-12,15,19,25-26H,13-14,16-18,20-21H2,(H,30,33)(H,31,34);1-12,15,19,24-25,30H,13-14,16-18,20-21H2,(H,29,32);4-10,13,17,22-23H,11-12,14-16,18-19H2,1-3H3,(H,28,31)(H,29,32) |
| InChIKey | SSZPLTCCSQVVBD-UHFFFAOYSA-N |
| XLogP | 24.12 |
| TPSA | 656.80 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 68 |
| Heavy Atoms | 246 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3389.40 |
| LogP ≤ 5 | 24.12 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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