19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

C38H50N6O6S — CID 71068509

About 19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (PubChem CID 71068509) has the molecular formula C38H50N6O6S and a molecular weight of 718.92 g/mol. Its IUPAC name is 19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.

Molecular Properties

• Compound Name: 19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
• PubChem CID: 71068509
• Molecular Formula: C38H50N6O6S
• Molecular Weight: 718.92 g/mol
• Exact Mass: 718.35
• IUPAC Name: 19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
• SMILES: COc1ccc2c(c1)C1CC1(NC(=O)C(=O)N1C(C)CCC1CN(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
• InChI: InChI=1S/C38H50N6O6S/c1-23-12-14-26(21-41(2)3)44(23)37(47)36(46)39-38-20-31(38)30-19-27(50-6)15-17-28(30)34-33(24-10-8-7-9-11-24)29-16-13-25(18-32(29)43(34)22-38)35(45)40-51(48,49)42(4)5/h13,15-19,23-24,26,31H,7-12,14,20-22H2,1-6H3,(H,39,46)(H,40,45)
• InChIKey: JFKWSKRXIDMSNH-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 133.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	718.92
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?

The IUPAC name of 19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (CID 71068509) is 19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.

What is the SMILES notation for 19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?

The canonical SMILES for 19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is COc1ccc2c(c1)C1CC1(NC(=O)C(=O)N1C(C)CCC1CN(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.

What is the InChIKey of 19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?

The InChIKey is JFKWSKRXIDMSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50N6O6S/c1-23-12-14-26(21-41(2)3)44(23)37(47)36(46)39-38-20-31(38)30-19-27(50-6)15-17-28(30)34-33(24-10-8-7-9-11-24)29-16-13-25(18-32(29)43(34)22-38)35(45)40-51(48,49)42(4)5/h13,15-19,23-24,26,31H,7-12,14,20-22H2,1-6H3,(H,39,46)(H,40,45).

What are the key properties of 19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?

19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide has a molecular weight of 718.92 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 19-cyclohexyl-10-[[2-[2-[(dimethylamino)methyl]-5-methylpyrrolidin-1-yl]-2-oxoacetyl]amino]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is sourced from PubChem (CID 71068509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).