(8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide

C39H55N5O5S — CID 71011920

About (8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide

(8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide (PubChem CID 71011920) has the molecular formula C39H55N5O5S and a molecular weight of 705.97 g/mol. Its IUPAC name is (8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide.

Molecular Properties

• Compound Name: (8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide
• PubChem CID: 71011920
• Molecular Formula: C39H55N5O5S
• Molecular Weight: 705.97 g/mol
• Exact Mass: 705.39
• IUPAC Name: (8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide
• SMILES: CCCC(CN(C)CC)NC(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(CC)CC)cc3n1C2
• InChI: InChI=1S/C39H55N5O5S/c1-7-14-28(24-42(5)8-2)40-38(46)39-23-33(39)32-22-29(49-6)18-20-30(32)36-35(26-15-12-11-13-16-26)31-19-17-27(21-34(31)44(36)25-39)37(45)41-50(47,48)43(9-3)10-4/h17-22,26,28,33H,7-16,23-25H2,1-6H3,(H,40,46)(H,41,45)/t28?,33-,39-/m0/s1
• InChIKey: PLSXOTJYKJXIMA-GHLFXPCBSA-N
• XLogP: 6.40
• TPSA: 112.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.97
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide?

The IUPAC name of (8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide (CID 71011920) is (8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide.

What is the SMILES notation for (8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide?

The canonical SMILES for (8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide is CCCC(CN(C)CC)NC(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(CC)CC)cc3n1C2.

What is the InChIKey of (8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide?

The InChIKey is PLSXOTJYKJXIMA-GHLFXPCBSA-N. The full InChI is InChI=1S/C39H55N5O5S/c1-7-14-28(24-42(5)8-2)40-38(46)39-23-33(39)32-22-29(49-6)18-20-30(32)36-35(26-15-12-11-13-16-26)31-19-17-27(21-34(31)44(36)25-39)37(45)41-50(47,48)43(9-3)10-4/h17-22,26,28,33H,7-16,23-25H2,1-6H3,(H,40,46)(H,41,45)/t28?,33-,39-/m0/s1.

What are the key properties of (8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide?

(8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide has a molecular weight of 705.97 g/mol, XLogP of 6.40, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (8S,10R)-19-cyclohexyl-15-N-(diethylsulfamoyl)-10-N-[1-[ethyl(methyl)amino]pentan-2-yl]-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-10,15-dicarboxamide is sourced from PubChem (CID 71011920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).