About 1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 158651104) has the molecular formula C110H144F3N19O12S4
and a molecular weight of 2109.74 g/mol. Its IUPAC name is 1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
Frequently Asked Questions
What is the IUPAC name of 1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 158651104) is 1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(Cc1ccccc1)Cc1ccn(C(C)C)n1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)N(CC2=NC(C(C)C)C=C2)Cc2ccccc2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)N(Cc2ccccc2)Cc2ccn(C(C)C)n2)c(C(C)C)c1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)N(Cc1ccccc1)Cc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is IBOIIICLZREAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O3S.C28H39N5O3S.C27H37N5O3S.C26H28F3N5O3S/c1-19(2)25-15-22(7)16-26(20(3)4)28(25)31-29(34)32-37(35,36)33(17-23-11-9-8-10-12-23)18-24-13-14-27(30-24)21(5)6;1-19(2)25-15-22(7)16-26(20(3)4)27(25)29-28(34)31-37(35,36)32(17-23-11-9-8-10-12-23)18-24-13-14-33(30-24)21(5)6;1-19(2)24-13-10-14-25(20(3)4)26(24)28-27(33)30-36(34,35)31(17-22-11-8-7-9-12-22)18-23-15-16-32(29-23)21(5)6;27-26(28,29)17-33-13-12-21(31-33)16-34(15-18-6-2-1-3-7-18)38(36,37)32-25(35)30-24-22-10-4-8-19(22)14-20-9-5-11-23(20)24/h8-16,19-21,27H,17-18H2,1-7H3,(H2,31,32,34);8-16,19-21H,17-18H2,1-7H3,(H2,29,31,34);7-16,19-21H,17-18H2,1-6H3,(H2,28,30,33);1-3,6-7,12-14H,4-5,8-11,15-17H2,(H2,30,32,35).
What are the key properties of 1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 2109.74 g/mol, XLogP of 22.50, 38 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 158651104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).