21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane

C111H128N16O10S2 — CID 159268795

About 21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane

21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane (PubChem CID 159268795) has the molecular formula C111H128N16O10S2 and a molecular weight of 1910.48 g/mol. Its IUPAC name is 21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane.

Molecular Properties

• Compound Name: 21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane
• PubChem CID: 159268795
• Molecular Formula: C111H128N16O10S2
• Molecular Weight: 1910.48 g/mol
• Exact Mass: 1908.94
• IUPAC Name: 21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane
• SMILES: C.C.C.C.C.CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)Cc1nccn1-c1ccccc1-3.Cc1cn2c(n1)Cn1c(c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc31)-c1ccccc1-2.Cc1cn2c(n1)Cn1c(c(C3CCCCC3)c3ccc(C(=O)O)cc31)-c1ccccc1-2.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)Cc1nccn1-c1ccccc1-3
• InChI: InChI=1S/C28H31N5O3S.C27H29N5O3S.C26H25N3O2.C25H23N3O2.5CH4/c1-18-16-32-23-12-8-7-11-22(23)27-26(19-9-5-4-6-10-19)21-14-13-20(28(34)30-37(35,36)31(2)3)15-24(21)33(27)17-25(32)29-18;1-30(2)36(34,35)29-27(33)19-12-13-20-23(16-19)32-17-24-28-14-15-31(24)22-11-7-6-10-21(22)26(32)25(20)18-8-4-3-5-9-18;1-16-14-28-21-10-6-5-9-20(21)25-24(17-7-3-2-4-8-17)19-12-11-18(26(30)31)13-22(19)29(25)15-23(28)27-16;29-25(30)17-10-11-18-21(14-17)28-15-22-26-12-13-27(22)20-9-5-4-8-19(20)24(28)23(18)16-6-2-1-3-7-16;;;;;/h7-8,11-16,19H,4-6,9-10,17H2,1-3H3,(H,30,34);6-7,10-16,18H,3-5,8-9,17H2,1-2H3,(H,29,33);5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,30,31);4-5,8-14,16H,1-3,6-7,15H2,(H,29,30);5*1H4
• InChIKey: KXLFDMGUABZPQL-UHFFFAOYSA-N
• XLogP: 23.88
• TPSA: 298.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1910.48
LogP ≤ 5	23.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane?

The IUPAC name of 21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane (CID 159268795) is 21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane.

What is the SMILES notation for 21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane?

The canonical SMILES for 21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane is C.C.C.C.C.CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)Cc1nccn1-c1ccccc1-3.Cc1cn2c(n1)Cn1c(c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc31)-c1ccccc1-2.Cc1cn2c(n1)Cn1c(c(C3CCCCC3)c3ccc(C(=O)O)cc31)-c1ccccc1-2.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)Cc1nccn1-c1ccccc1-3.

What is the InChIKey of 21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane?

The InChIKey is KXLFDMGUABZPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3S.C27H29N5O3S.C26H25N3O2.C25H23N3O2.5CH4/c1-18-16-32-23-12-8-7-11-22(23)27-26(19-9-5-4-6-10-19)21-14-13-20(28(34)30-37(35,36)31(2)3)15-24(21)33(27)17-25(32)29-18;1-30(2)36(34,35)29-27(33)19-12-13-20-23(16-19)32-17-24-28-14-15-31(24)22-11-7-6-10-21(22)26(32)25(20)18-8-4-3-5-9-18;1-16-14-28-21-10-6-5-9-20(21)25-24(17-7-3-2-4-8-17)19-12-11-18(26(30)31)13-22(19)29(25)15-23(28)27-16;29-25(30)17-10-11-18-21(14-17)28-15-22-26-12-13-27(22)20-9-5-4-8-19(20)24(28)23(18)16-6-2-1-3-7-16;;;;;/h7-8,11-16,19H,4-6,9-10,17H2,1-3H3,(H,30,34);6-7,10-16,18H,3-5,8-9,17H2,1-2H3,(H,29,33);5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,30,31);4-5,8-14,16H,1-3,6-7,15H2,(H,29,30);5*1H4.

What are the key properties of 21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane?

21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane has a molecular weight of 1910.48 g/mol, XLogP of 23.88, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 21-cyclohexyl-N-(dimethylsulfamoyl)-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-N-(dimethylsulfamoyl)-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxamide;21-cyclohexyl-10-methyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;21-cyclohexyl-8,11,14-triazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15(20),16,18-nonaene-17-carboxylic acid;methane is sourced from PubChem (CID 159268795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).