19-cyclohexyl-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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

C33H39N5O5S — CID 71064701

About 19-cyclohexyl-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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 71064701) has the molecular formula C33H39N5O5S and a molecular weight of 617.77 g/mol. Its IUPAC name is 19-cyclohexyl-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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: 71064701
• Molecular Formula: C33H39N5O5S
• Molecular Weight: 617.77 g/mol
• Exact Mass: 617.27
• IUPAC Name: 19-cyclohexyl-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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: CNS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(C(=O)N2CC4CC2CN4C)CC1c1cc(O)ccc1-3
• InChI: InChI=1S/C33H39N5O5S/c1-34-44(42,43)35-31(40)20-8-10-25-28(12-20)38-18-33(32(41)37-17-21-13-22(37)16-36(21)2)15-27(33)26-14-23(39)9-11-24(26)30(38)29(25)19-6-4-3-5-7-19/h8-12,14,19,21-22,27,34,39H,3-7,13,15-18H2,1-2H3,(H,35,40)
• InChIKey: ZFOZJFHISDUVTI-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 123.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.77
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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 71064701) is 19-cyclohexyl-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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 CNS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(C(=O)N2CC4CC2CN4C)CC1c1cc(O)ccc1-3.

What is the InChIKey of 19-cyclohexyl-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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 ZFOZJFHISDUVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O5S/c1-34-44(42,43)35-31(40)20-8-10-25-28(12-20)38-18-33(32(41)37-17-21-13-22(37)16-36(21)2)15-27(33)26-14-23(39)9-11-24(26)30(38)29(25)19-6-4-3-5-7-19/h8-12,14,19,21-22,27,34,39H,3-7,13,15-18H2,1-2H3,(H,35,40).

What are the key properties of 19-cyclohexyl-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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 617.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 19-cyclohexyl-5-hydroxy-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-(methylsulfamoyl)-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 71064701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).