About (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)butanediamide
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)butanediamide (PubChem CID 162209794) has the molecular formula C138H193N25O25S6
and a molecular weight of 2794.61 g/mol. Its IUPAC name is (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)butanediamide.
Frequently Asked Questions
What is the IUPAC name of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)butanediamide?
The IUPAC name of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)butanediamide (CID 162209794) is (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)butanediamide.
What is the SMILES notation for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)butanediamide?
The canonical SMILES for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)butanediamide is CC(C)CN(CC(C)C)C(=O)[C@H](CC(=O)N(C)CCc1ccccn1)NS(=O)(=O)c1ccc2occc2c1.Cc1cc(CN(C)C(=O)C[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)nn1C.Cc1cc(CN(Cc2cc(C)n(C)n2)C(=O)C[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)nn1C.Cc1cc(CNC(=O)C[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)nn1C.Cc1nc(CNC(=O)C[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)cs1.
What is the InChIKey of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)butanediamide?
The InChIKey is ZSROXMYCPOEYOM-IZPHUEKJSA-N. The full InChI is InChI=1S/C32H45N7O5S.C28H38N4O5S.C27H39N5O5S.C26H37N5O5S.C25H34N4O5S2/c1-21(2)17-39(18-22(3)4)32(41)29(35-45(42,43)28-9-10-30-25(15-28)11-12-44-30)16-31(40)38(19-26-13-23(5)36(7)33-26)20-27-14-24(6)37(8)34-27;1-20(2)18-32(19-21(3)4)28(34)25(17-27(33)31(5)14-11-23-8-6-7-13-29-23)30-38(35,36)24-9-10-26-22(16-24)12-15-37-26;1-18(2)15-32(16-19(3)4)27(34)24(14-26(33)30(6)17-22-12-20(5)31(7)28-22)29-38(35,36)23-8-9-25-21(13-23)10-11-37-25;1-17(2)15-31(16-18(3)4)26(33)23(13-25(32)27-14-21-11-19(5)30(6)28-21)29-37(34,35)22-7-8-24-20(12-22)9-10-36-24;1-16(2)13-29(14-17(3)4)25(31)22(11-24(30)26-12-20-15-35-18(5)27-20)28-36(32,33)21-6-7-23-19(10-21)8-9-34-23/h9-15,21-22,29,35H,16-20H2,1-8H3;6-10,12-13,15-16,20-21,25,30H,11,14,17-19H2,1-5H3;8-13,18-19,24,29H,14-17H2,1-7H3;7-12,17-18,23,29H,13-16H2,1-6H3,(H,27,32);6-10,15-17,22,28H,11-14H2,1-5H3,(H,26,30)/t29-;25-;24-;23-;22-/m00000/s1.
What are the key properties of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)butanediamide?
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)butanediamide has a molecular weight of 2794.61 g/mol, XLogP of 17.60, 63 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N',N'-bis[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(1,5-dimethylpyrazol-3-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)butanediamide is sourced from PubChem (CID 162209794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).