19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide

C37H47N5O5S — CID 25014739

About 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide

19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide (PubChem CID 25014739) has the molecular formula C37H47N5O5S and a molecular weight of 673.88 g/mol. Its IUPAC name is 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide.

Molecular Properties

• Compound Name: 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide
• PubChem CID: 25014739
• Molecular Formula: C37H47N5O5S
• Molecular Weight: 673.88 g/mol
• Exact Mass: 673.33
• IUPAC Name: 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide
• SMILES: COc1ccc2c(c1)C1CC1(C(=O)NC1CC3CCC(C1)N3C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
• InChI: InChI=1S/C37H47N5O5S/c1-40(2)48(45,46)39-35(43)23-10-14-29-32(16-23)42-21-37(36(44)38-24-17-25-11-12-26(18-24)41(25)3)20-31(37)30-19-27(47-4)13-15-28(30)34(42)33(29)22-8-6-5-7-9-22/h10,13-16,19,22,24-26,31H,5-9,11-12,17-18,20-21H2,1-4H3,(H,38,44)(H,39,43)
• InChIKey: IBUCXQVLCDCGNB-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 112.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.88
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide?

The IUPAC name of 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide (CID 25014739) is 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide.

What is the SMILES notation for 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide?

The canonical SMILES for 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide is COc1ccc2c(c1)C1CC1(C(=O)NC1CC3CCC(C1)N3C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.

What is the InChIKey of 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide?

The InChIKey is IBUCXQVLCDCGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N5O5S/c1-40(2)48(45,46)39-35(43)23-10-14-29-32(16-23)42-21-37(36(44)38-24-17-25-11-12-26(18-24)41(25)3)20-31(37)30-19-27(47-4)13-15-28(30)34(42)33(29)22-8-6-5-7-9-22/h10,13-16,19,22,24-26,31H,5-9,11-12,17-18,20-21H2,1-4H3,(H,38,44)(H,39,43).

What are the key properties of 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide?

19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide has a molecular weight of 673.88 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide is sourced from PubChem (CID 25014739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).