1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane

C159H234N32O25S8 — CID 165077023

IUPAC1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane
SMILESC.CCN(CC)CCN(C)S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN(C)C(C)(C)CNS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN(C)CC(C)(C)NS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN(C)CCN(CCCc1ccccc1)S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN1C2CCC1CC(NS(=O)(=O)NC(=O)Nc1c3c(cc4c1CCC4)CCC3)C2.Cn1ccc(NS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)N1CCN2CCC1C2.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)NCCCCO
InChIInChI=1S/C26H36N4O3S.C21H30N4O3S.C20H32N4O3S.C19H26N4O3S.2C19H30N4O3S.C17H21N5O3S.C17H25N3O4S.CH4/c1-29(2)17-18-30(16-8-11-20-9-4-3-5-10-20)34(32,33)28-26(31)27-25-23-14-6-12-21(23)19-22-13-7-15-24(22)25;1-25-16-8-9-17(25)12-15(11-16)23-29(27,28)24-21(26)22-20-18-6-2-4-13(18)10-14-5-3-7-19(14)20;1-4-24(5-2)13-12-23(3)28(26,27)22-20(25)21-19-17-10-6-8-15(17)14-16-9-7-11-18(16)19;24-19(21-27(25,26)23-10-9-22-8-7-15(23)12-22)20-18-16-5-1-3-13(16)11-14-4-2-6-17(14)18;1-19(2,12-23(3)4)22-27(25,26)21-18(24)20-17-15-9-5-7-13(15)11-14-8-6-10-16(14)17;1-19(2,23(3)4)12-20-27(25,26)22-18(24)21-17-15-9-5-7-13(15)11-14-8-6-10-16(14)17;1-22-9-8-15(19-22)20-26(24,25)21-17(23)18-16-13-6-2-4-11(13)10-12-5-3-7-14(12)16;21-10-2-1-9-18-25(23,24)20-17(22)19-16-14-7-3-5-12(14)11-13-6-4-8-15(13)16;/h3-5,9-10,19H,6-8,11-18H2,1-2H3,(H2,27,28,31);10,15-17,23H,2-9,11-12H2,1H3,(H2,22,24,26);14H,4-13H2,1-3H3,(H2,21,22,25);11,15H,1-10,12H2,(H2,20,21,24);11,22H,5-10,12H2,1-4H3,(H2,20,21,24);11,20H,5-10,12H2,1-4H3,(H2,21,22,24);8-10H,2-7H2,1H3,(H,19,20)(H2,18,21,23);11,18,21H,1-10H2,(H2,19,20,22);1H4
InChIKeyULZUBMOGUJOAGV-UHFFFAOYSA-N
MW3250.36 g/mol
LogP17.32
Rot. Bonds48

About 1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane

1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane (PubChem CID 165077023) has the molecular formula C159H234N32O25S8 and a molecular weight of 3250.36 g/mol. Its IUPAC name is 1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane.

Molecular Properties

Compound Name1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane
PubChem CID165077023
Molecular FormulaC159H234N32O25S8
Molecular Weight3250.36 g/mol
Exact Mass3247.58
IUPAC Name1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane
SMILESC.CCN(CC)CCN(C)S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN(C)C(C)(C)CNS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN(C)CC(C)(C)NS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN(C)CCN(CCCc1ccccc1)S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN1C2CCC1CC(NS(=O)(=O)NC(=O)Nc1c3c(cc4c1CCC4)CCC3)C2.Cn1ccc(NS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)N1CCN2CCC1C2.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)NCCCCO
InChIInChI=1S/C26H36N4O3S.C21H30N4O3S.C20H32N4O3S.C19H26N4O3S.2C19H30N4O3S.C17H21N5O3S.C17H25N3O4S.CH4/c1-29(2)17-18-30(16-8-11-20-9-4-3-5-10-20)34(32,33)28-26(31)27-25-23-14-6-12-21(23)19-22-13-7-15-24(22)25;1-25-16-8-9-17(25)12-15(11-16)23-29(27,28)24-21(26)22-20-18-6-2-4-13(18)10-14-5-3-7-19(14)20;1-4-24(5-2)13-12-23(3)28(26,27)22-20(25)21-19-17-10-6-8-15(17)14-16-9-7-11-18(16)19;24-19(21-27(25,26)23-10-9-22-8-7-15(23)12-22)20-18-16-5-1-3-13(16)11-14-4-2-6-17(14)18;1-19(2,12-23(3)4)22-27(25,26)21-18(24)20-17-15-9-5-7-13(15)11-14-8-6-10-16(14)17;1-19(2,23(3)4)12-20-27(25,26)22-18(24)21-17-15-9-5-7-13(15)11-14-8-6-10-16(14)17;1-22-9-8-15(19-22)20-26(24,25)21-17(23)18-16-13-6-2-4-11(13)10-12-5-3-7-14(12)16;21-10-2-1-9-18-25(23,24)20-17(22)19-16-14-7-3-5-12(14)11-13-6-4-8-15(13)16;/h3-5,9-10,19H,6-8,11-18H2,1-2H3,(H2,27,28,31);10,15-17,23H,2-9,11-12H2,1H3,(H2,22,24,26);14H,4-13H2,1-3H3,(H2,21,22,25);11,15H,1-10,12H2,(H2,20,21,24);11,22H,5-10,12H2,1-4H3,(H2,20,21,24);11,20H,5-10,12H2,1-4H3,(H2,21,22,24);8-10H,2-7H2,1H3,(H,19,20)(H2,18,21,23);11,18,21H,1-10H2,(H2,19,20,22);1H4
InChIKeyULZUBMOGUJOAGV-UHFFFAOYSA-N
XLogP17.32
TPSA729.52 Ų
H-Bond Donors22
H-Bond Acceptors33
Rotatable Bonds48
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003250.36
LogP ≤ 517.32
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane?
The IUPAC name of 1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane (CID 165077023) is 1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane.
What is the SMILES notation for 1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane?
The canonical SMILES for 1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane is C.CCN(CC)CCN(C)S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN(C)C(C)(C)CNS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN(C)CC(C)(C)NS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN(C)CCN(CCCc1ccccc1)S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN1C2CCC1CC(NS(=O)(=O)NC(=O)Nc1c3c(cc4c1CCC4)CCC3)C2.Cn1ccc(NS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)N1CCN2CCC1C2.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)NCCCCO.
What is the InChIKey of 1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane?
The InChIKey is ULZUBMOGUJOAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3S.C21H30N4O3S.C20H32N4O3S.C19H26N4O3S.2C19H30N4O3S.C17H21N5O3S.C17H25N3O4S.CH4/c1-29(2)17-18-30(16-8-11-20-9-4-3-5-10-20)34(32,33)28-26(31)27-25-23-14-6-12-21(23)19-22-13-7-15-24(22)25;1-25-16-8-9-17(25)12-15(11-16)23-29(27,28)24-21(26)22-20-18-6-2-4-13(18)10-14-5-3-7-19(14)20;1-4-24(5-2)13-12-23(3)28(26,27)22-20(25)21-19-17-10-6-8-15(17)14-16-9-7-11-18(16)19;24-19(21-27(25,26)23-10-9-22-8-7-15(23)12-22)20-18-16-5-1-3-13(16)11-14-4-2-6-17(14)18;1-19(2,12-23(3)4)22-27(25,26)21-18(24)20-17-15-9-5-7-13(15)11-14-8-6-10-16(14)17;1-19(2,23(3)4)12-20-27(25,26)22-18(24)21-17-15-9-5-7-13(15)11-14-8-6-10-16(14)17;1-22-9-8-15(19-22)20-26(24,25)21-17(23)18-16-13-6-2-4-11(13)10-12-5-3-7-14(12)16;21-10-2-1-9-18-25(23,24)20-17(22)19-16-14-7-3-5-12(14)11-13-6-4-8-15(13)16;/h3-5,9-10,19H,6-8,11-18H2,1-2H3,(H2,27,28,31);10,15-17,23H,2-9,11-12H2,1H3,(H2,22,24,26);14H,4-13H2,1-3H3,(H2,21,22,25);11,15H,1-10,12H2,(H2,20,21,24);11,22H,5-10,12H2,1-4H3,(H2,20,21,24);11,20H,5-10,12H2,1-4H3,(H2,21,22,24);8-10H,2-7H2,1H3,(H,19,20)(H2,18,21,23);11,18,21H,1-10H2,(H2,19,20,22);1H4.
What are the key properties of 1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane?
1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane has a molecular weight of 3250.36 g/mol, XLogP of 17.32, 48 rotatable bonds, 22 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazabicyclo[3.2.1]octan-4-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(diethylamino)ethyl-methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2-(dimethylamino)ethyl-(3-phenylpropyl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[1-(dimethylamino)-2-methylpropan-2-yl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfamoyl]urea;methane is sourced from PubChem (CID 165077023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).