About 3-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfinamoyloxy]-N-(2,5-dimethylphenyl)benzenesulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfonyl]-3,5-dimethylbenzamide;3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-N-(3,5-dimethylphenyl)-3-methylbutane-1-sulfonamide;1-[1-[6-(1,3-dimethoxy-2-methylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]ethyl]-3-(2,5-dimethylphenyl)urea;(4-methylphenyl) N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylpentan-2-yl]carbamate
3-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfinamoyloxy]-N-(2,5-dimethylphenyl)benzenesulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfonyl]-3,5-dimethylbenzamide;3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-N-(3,5-dimethylphenyl)-3-methylbutane-1-sulfonamide;1-[1-[6-(1,3-dimethoxy-2-methylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]ethyl]-3-(2,5-dimethylphenyl)urea;(4-methylphenyl) N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylpentan-2-yl]carbamate (PubChem CID 91068704) has the molecular formula C111H155N27O14S4
and a molecular weight of 2219.90 g/mol. Its IUPAC name is 3-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfinamoyloxy]-N-(2,5-dimethylphenyl)benzenesulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfonyl]-3,5-dimethylbenzamide;3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-N-(3,5-dimethylphenyl)-3-methylbutane-1-sulfonamide;1-[1-[6-(1,3-dimethoxy-2-methylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]ethyl]-3-(2,5-dimethylphenyl)urea;(4-methylphenyl) N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylpentan-2-yl]carbamate.
Frequently Asked Questions
What is the IUPAC name of 3-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfinamoyloxy]-N-(2,5-dimethylphenyl)benzenesulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfonyl]-3,5-dimethylbenzamide;3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-N-(3,5-dimethylphenyl)-3-methylbutane-1-sulfonamide;1-[1-[6-(1,3-dimethoxy-2-methylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]ethyl]-3-(2,5-dimethylphenyl)urea;(4-methylphenyl) N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylpentan-2-yl]carbamate?
The IUPAC name of 3-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfinamoyloxy]-N-(2,5-dimethylphenyl)benzenesulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfonyl]-3,5-dimethylbenzamide;3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-N-(3,5-dimethylphenyl)-3-methylbutane-1-sulfonamide;1-[1-[6-(1,3-dimethoxy-2-methylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]ethyl]-3-(2,5-dimethylphenyl)urea;(4-methylphenyl) N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylpentan-2-yl]carbamate (CID 91068704) is 3-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfinamoyloxy]-N-(2,5-dimethylphenyl)benzenesulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfonyl]-3,5-dimethylbenzamide;3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-N-(3,5-dimethylphenyl)-3-methylbutane-1-sulfonamide;1-[1-[6-(1,3-dimethoxy-2-methylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]ethyl]-3-(2,5-dimethylphenyl)urea;(4-methylphenyl) N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for 3-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfinamoyloxy]-N-(2,5-dimethylphenyl)benzenesulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfonyl]-3,5-dimethylbenzamide;3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-N-(3,5-dimethylphenyl)-3-methylbutane-1-sulfonamide;1-[1-[6-(1,3-dimethoxy-2-methylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]ethyl]-3-(2,5-dimethylphenyl)urea;(4-methylphenyl) N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylpentan-2-yl]carbamate?
The canonical SMILES for 3-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfinamoyloxy]-N-(2,5-dimethylphenyl)benzenesulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfonyl]-3,5-dimethylbenzamide;3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-N-(3,5-dimethylphenyl)-3-methylbutane-1-sulfonamide;1-[1-[6-(1,3-dimethoxy-2-methylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]ethyl]-3-(2,5-dimethylphenyl)urea;(4-methylphenyl) N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylpentan-2-yl]carbamate is CCC(CNS(=O)Oc1cccc(S(=O)(=O)Nc2cc(C)ccc2C)c1)c1nnc2cc(C(C)(C)C)[nH]n12.COCC(C)(COC)c1cc2nnc(C(C)NC(=O)Nc3cc(C)ccc3C)n2[nH]1.Cc1cc(C)cc(C(=O)NS(=O)(=O)CCC(C)c2nnc3cc(C(C)(C)C)[nH]n23)c1.Cc1cc(C)cc(NS(=O)(=O)CCC(C)(C)c2nnc3cc(C(C)(C)C)[nH]n23)c1.Cc1ccc(OC(=O)NC(C)C(c2nnc3cc(C(C)(C)C)[nH]n23)C(C)C)cc1.
What is the InChIKey of 3-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfinamoyloxy]-N-(2,5-dimethylphenyl)benzenesulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfonyl]-3,5-dimethylbenzamide;3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-N-(3,5-dimethylphenyl)-3-methylbutane-1-sulfonamide;1-[1-[6-(1,3-dimethoxy-2-methylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]ethyl]-3-(2,5-dimethylphenyl)urea;(4-methylphenyl) N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylpentan-2-yl]carbamate?
The InChIKey is WBBGBQCTRFILCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4S2.C22H31N5O2.C21H30N6O3.C21H29N5O3S.C21H31N5O2S/c1-7-19(25-29-28-24-15-23(26(4,5)6)30-32(24)25)16-27-37(33)36-20-9-8-10-21(14-20)38(34,35)31-22-13-17(2)11-12-18(22)3;1-13(2)19(15(4)23-21(28)29-16-10-8-14(3)9-11-16)20-25-24-18-12-17(22(5,6)7)26-27(18)20;1-13-7-8-14(2)16(9-13)23-20(28)22-15(3)19-25-24-18-10-17(26-27(18)19)21(4,11-29-5)12-30-6;1-13-9-14(2)11-16(10-13)20(27)25-30(28,29)8-7-15(3)19-23-22-18-12-17(21(4,5)6)24-26(18)19;1-14-10-15(2)12-16(11-14)25-29(27,28)9-8-21(6,7)19-23-22-18-13-17(20(3,4)5)24-26(18)19/h8-15,19,27,30-31H,7,16H2,1-6H3;8-13,15,19,26H,1-7H3,(H,23,28);7-10,15,26H,11-12H2,1-6H3,(H2,22,23,28);9-12,15,24H,7-8H2,1-6H3,(H,25,27);10-13,24-25H,8-9H2,1-7H3.
What are the key properties of 3-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfinamoyloxy]-N-(2,5-dimethylphenyl)benzenesulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfonyl]-3,5-dimethylbenzamide;3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-N-(3,5-dimethylphenyl)-3-methylbutane-1-sulfonamide;1-[1-[6-(1,3-dimethoxy-2-methylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]ethyl]-3-(2,5-dimethylphenyl)urea;(4-methylphenyl) N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylpentan-2-yl]carbamate?
3-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfinamoyloxy]-N-(2,5-dimethylphenyl)benzenesulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfonyl]-3,5-dimethylbenzamide;3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-N-(3,5-dimethylphenyl)-3-methylbutane-1-sulfonamide;1-[1-[6-(1,3-dimethoxy-2-methylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]ethyl]-3-(2,5-dimethylphenyl)urea;(4-methylphenyl) N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylpentan-2-yl]carbamate has a molecular weight of 2219.90 g/mol, XLogP of 19.51, 35 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfinamoyloxy]-N-(2,5-dimethylphenyl)benzenesulfonamide;N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)butylsulfonyl]-3,5-dimethylbenzamide;3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-N-(3,5-dimethylphenyl)-3-methylbutane-1-sulfonamide;1-[1-[6-(1,3-dimethoxy-2-methylpropan-2-yl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]ethyl]-3-(2,5-dimethylphenyl)urea;(4-methylphenyl) N-[3-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 91068704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).