N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate

C166H268N24O17S6 — CID 54128789

About N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate

N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate (PubChem CID 54128789) has the molecular formula C166H268N24O17S6 and a molecular weight of 3064.52 g/mol. Its IUPAC name is N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate.

Molecular Properties

• Compound Name: N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate
• PubChem CID: 54128789
• Molecular Formula: C166H268N24O17S6
• Molecular Weight: 3064.52 g/mol
• Exact Mass: 3061.92
• IUPAC Name: N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate
• SMILES: CCCCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(NS(C)(=O)=O)cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)c1.CCCCCCCCCCCCCC(=O)Nc1cc(NS(=O)Oc2c(C(C)C)cc(C(C)C)cc2C(C)C)cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)c1.CCCCCCCCCCCCOS(=O)CCCC(=O)Nc1cc(NC(=O)CCCS(=O)OCCCCCCCCCCCC)cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)c1.CCCCCCCCCCCCS(=O)(=O)N(CC(C)C)c1cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)cc(N(CC(C)C)S(=O)(=O)CCCCCCCCCCCC)c1
• InChI: InChI=1S/C46H78N6O6S2.C46H82N6O4S2.C43H66N6O3S.C31H42N6O4S/c1-6-8-10-12-14-16-18-20-22-24-30-57-59(55)32-26-28-43(53)47-39-34-38(45-49-42-37-41(46(3,4)5)50-52(42)51-45)35-40(36-39)48-44(54)29-27-33-60(56)58-31-25-23-21-19-17-15-13-11-9-7-2;1-10-12-14-16-18-20-22-24-26-28-30-57(53,54)50(36-38(3)4)41-32-40(45-47-44-35-43(46(7,8)9)48-52(44)49-45)33-42(34-41)51(37-39(5)6)58(55,56)31-29-27-25-23-21-19-17-15-13-11-2;1-11-12-13-14-15-16-17-18-19-20-21-22-40(50)44-34-23-33(42-45-39-28-38(43(8,9)10)46-49(39)47-42)24-35(27-34)48-53(51)52-41-36(30(4)5)25-32(29(2)3)26-37(41)31(6)7;1-8-9-10-11-12-26(41-25-14-13-20(2)15-21(25)3)30(38)32-23-16-22(17-24(18-23)36-42(7,39)40)29-33-28-19-27(31(4,5)6)34-37(28)35-29/h34-37,50H,6-33H2,1-5H3,(H,47,53)(H,48,54);32-35,38-39,48H,10-31,36-37H2,1-9H3;23-31,46,48H,11-22H2,1-10H3,(H,44,50);13-19,26,34,36H,8-12H2,1-7H3,(H,32,38)
• InChIKey: ZSJDBPQMZRDTQM-UHFFFAOYSA-N
• XLogP: 42.58
• TPSA: 521.41 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 99
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3064.52
LogP ≤ 5	42.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate?

The IUPAC name of N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate (CID 54128789) is N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate.

What is the SMILES notation for N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate?

The canonical SMILES for N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate is CCCCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(NS(C)(=O)=O)cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)c1.CCCCCCCCCCCCCC(=O)Nc1cc(NS(=O)Oc2c(C(C)C)cc(C(C)C)cc2C(C)C)cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)c1.CCCCCCCCCCCCOS(=O)CCCC(=O)Nc1cc(NC(=O)CCCS(=O)OCCCCCCCCCCCC)cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)c1.CCCCCCCCCCCCS(=O)(=O)N(CC(C)C)c1cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)cc(N(CC(C)C)S(=O)(=O)CCCCCCCCCCCC)c1.

What is the InChIKey of N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate?

The InChIKey is ZSJDBPQMZRDTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H78N6O6S2.C46H82N6O4S2.C43H66N6O3S.C31H42N6O4S/c1-6-8-10-12-14-16-18-20-22-24-30-57-59(55)32-26-28-43(53)47-39-34-38(45-49-42-37-41(46(3,4)5)50-52(42)51-45)35-40(36-39)48-44(54)29-27-33-60(56)58-31-25-23-21-19-17-15-13-11-9-7-2;1-10-12-14-16-18-20-22-24-26-28-30-57(53,54)50(36-38(3)4)41-32-40(45-47-44-35-43(46(7,8)9)48-52(44)49-45)33-42(34-41)51(37-39(5)6)58(55,56)31-29-27-25-23-21-19-17-15-13-11-2;1-11-12-13-14-15-16-17-18-19-20-21-22-40(50)44-34-23-33(42-45-39-28-38(43(8,9)10)46-49(39)47-42)24-35(27-34)48-53(51)52-41-36(30(4)5)25-32(29(2)3)26-37(41)31(6)7;1-8-9-10-11-12-26(41-25-14-13-20(2)15-21(25)3)30(38)32-23-16-22(17-24(18-23)36-42(7,39)40)29-33-28-19-27(31(4,5)6)34-37(28)35-29/h34-37,50H,6-33H2,1-5H3,(H,47,53)(H,48,54);32-35,38-39,48H,10-31,36-37H2,1-9H3;23-31,46,48H,11-22H2,1-10H3,(H,44,50);13-19,26,34,36H,8-12H2,1-7H3,(H,32,38).

What are the key properties of N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate?

N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate has a molecular weight of 3064.52 g/mol, XLogP of 42.58, 99 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[dodecylsulfonyl(2-methylpropyl)amino]phenyl]-N-(2-methylpropyl)dodecane-1-sulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(methanesulfonamido)phenyl]-2-(2,4-dimethylphenoxy)octanamide;N-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-[[2,4,6-tri(propan-2-yl)phenoxy]sulfinylamino]phenyl]tetradecanamide;dodecyl 4-[3-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-5-(4-dodecoxysulfinylbutanoylamino)anilino]-4-oxobutane-1-sulfinate is sourced from PubChem (CID 54128789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).