19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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

C37H49N5O5S — CID 25015459

About 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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 25015459) has the molecular formula C37H49N5O5S and a molecular weight of 675.90 g/mol. Its IUPAC name is 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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: 25015459
• Molecular Formula: C37H49N5O5S
• Molecular Weight: 675.90 g/mol
• Exact Mass: 675.35
• IUPAC Name: 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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)N(C)CC1CCCCN1C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
• InChI: InChI=1S/C37H49N5O5S/c1-39(2)48(45,46)38-35(43)25-14-16-29-32(19-25)42-23-37(36(44)41(4)22-26-13-9-10-18-40(26)3)21-31(37)30-20-27(47-5)15-17-28(30)34(42)33(29)24-11-7-6-8-12-24/h14-17,19-20,24,26,31H,6-13,18,21-23H2,1-5H3,(H,38,43)
• InChIKey: HFYSWDAOHVPJCU-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 104.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.90
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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 25015459) is 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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)N(C)CC1CCCCN1C)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-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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 HFYSWDAOHVPJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H49N5O5S/c1-39(2)48(45,46)38-35(43)25-14-16-29-32(19-25)42-23-37(36(44)41(4)22-26-13-9-10-18-40(26)3)21-31(37)30-20-27(47-5)15-17-28(30)34(42)33(29)24-11-7-6-8-12-24/h14-17,19-20,24,26,31H,6-13,18,21-23H2,1-5H3,(H,38,43).

What are the key properties of 19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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 675.90 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 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-methyl-10-N-[(1-methylpiperidin-2-yl)methyl]-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 25015459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).