19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen

C36H49N5O6S — CID 143590578

About 19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen

19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen (PubChem CID 143590578) has the molecular formula C36H49N5O6S and a molecular weight of 679.88 g/mol. Its IUPAC name is 19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen.

Molecular Properties

• Compound Name: 19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen
• PubChem CID: 143590578
• Molecular Formula: C36H49N5O6S
• Molecular Weight: 679.88 g/mol
• Exact Mass: 679.34
• IUPAC Name: 19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen
• SMILES: CN(C)C(=O)O.COc1ccc2c(c1)C1CC1(S(=O)(=O)N1CCN3CCC1CC3)Cn1c-2c(C2CCCCC2)c2ccc(C(N)=O)cc21.[H][H]
• InChI: InChI=1S/C33H40N4O4S.C3H7NO2.H2/c1-41-24-8-10-25-27(18-24)28-19-33(28,42(39,40)37-16-15-35-13-11-23(37)12-14-35)20-36-29-17-22(32(34)38)7-9-26(29)30(31(25)36)21-5-3-2-4-6-21;1-4(2)3(5)6;/h7-10,17-18,21,23,28H,2-6,11-16,19-20H2,1H3,(H2,34,38);1-2H3,(H,5,6);1H
• InChIKey: OLMYYJQGQXGDEP-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 138.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.88
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen?

The IUPAC name of 19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen (CID 143590578) is 19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen.

What is the SMILES notation for 19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen?

The canonical SMILES for 19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen is CN(C)C(=O)O.COc1ccc2c(c1)C1CC1(S(=O)(=O)N1CCN3CCC1CC3)Cn1c-2c(C2CCCCC2)c2ccc(C(N)=O)cc21.[H][H].

What is the InChIKey of 19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen?

The InChIKey is OLMYYJQGQXGDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O4S.C3H7NO2.H2/c1-41-24-8-10-25-27(18-24)28-19-33(28,42(39,40)37-16-15-35-13-11-23(37)12-14-35)20-36-29-17-22(32(34)38)7-9-26(29)30(31(25)36)21-5-3-2-4-6-21;1-4(2)3(5)6;/h7-10,17-18,21,23,28H,2-6,11-16,19-20H2,1H3,(H2,34,38);1-2H3,(H,5,6);1H.

What are the key properties of 19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen?

19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen has a molecular weight of 679.88 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-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;dimethylcarbamic acid;molecular hydrogen is sourced from PubChem (CID 143590578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).