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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate)

C165H198N24O17S2 — CID 161379112

IUPAC2-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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate)
SMILESCC(C)(C)OC(=O)NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccccc2)CC1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.O=C(CN1CCC(NC(=O)Oc2ccccc2)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
InChIInChI=1S/C28H34N4O3S.2C28H32N4O3.C28H32N4O2.C27H32N4O3S.C26H36N4O3/c29-26(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;2*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/h1-5,8-13,17,20,25-27,31H,6-7,14-16,18-19,29H2,(H,32,33);2*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)
InChIKeyVRMDNNQSEQXOFT-UHFFFAOYSA-N
MW2853.68 g/mol
LogP20.77
Rot. Bonds56

About 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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate)

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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate) (PubChem CID 161379112) has the molecular formula C165H198N24O17S2 and a molecular weight of 2853.68 g/mol. Its IUPAC name is 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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate).

Molecular Properties

Compound Name2-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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate)
PubChem CID161379112
Molecular FormulaC165H198N24O17S2
Molecular Weight2853.68 g/mol
Exact Mass2851.48
IUPAC Name2-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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate)
SMILESCC(C)(C)OC(=O)NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccccc2)CC1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.O=C(CN1CCC(NC(=O)Oc2ccccc2)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
InChIInChI=1S/C28H34N4O3S.2C28H32N4O3.C28H32N4O2.C27H32N4O3S.C26H36N4O3/c29-26(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;2*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/h1-5,8-13,17,20,25-27,31H,6-7,14-16,18-19,29H2,(H,32,33);2*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)
InChIKeyVRMDNNQSEQXOFT-UHFFFAOYSA-N
XLogP20.77
TPSA530.59 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds56
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002853.68
LogP ≤ 520.77
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate)?
The IUPAC name of 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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate) (CID 161379112) is 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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate).
What is the SMILES notation for 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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate)?
The canonical SMILES for 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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate) is CC(C)(C)OC(=O)NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccccc2)CC1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.O=C(CN1CCC(NC(=O)Oc2ccccc2)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.
What is the InChIKey of 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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate)?
The InChIKey is VRMDNNQSEQXOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3S.2C28H32N4O3.C28H32N4O2.C27H32N4O3S.C26H36N4O3/c29-26(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;2*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/h1-5,8-13,17,20,25-27,31H,6-7,14-16,18-19,29H2,(H,32,33);2*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).
What are the key properties of 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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate)?
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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate) has a molecular weight of 2853.68 g/mol, XLogP of 20.77, 56 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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;bis(phenyl N-[1-[2-oxo-2-[(2-phenyl-3-pyridin-3-ylpropyl)amino]ethyl]piperidin-4-yl]carbamate) is sourced from PubChem (CID 161379112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).