19-cyclohexyl-5-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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

C36H43N5O6S — CID 71064580

About 19-cyclohexyl-5-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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 71064580) has the molecular formula C36H43N5O6S and a molecular weight of 673.84 g/mol. Its IUPAC name is 19-cyclohexyl-5-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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: 71064580
• Molecular Formula: C36H43N5O6S
• Molecular Weight: 673.84 g/mol
• Exact Mass: 673.29
• IUPAC Name: 19-cyclohexyl-5-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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: CNCC1C=CN1C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N4CCOCC4)cc3n1C2
• InChI: InChI=1S/C36H43N5O6S/c1-37-21-25-12-13-40(25)35(43)36-20-30(36)29-19-26(46-2)9-11-27(29)33-32(23-6-4-3-5-7-23)28-10-8-24(18-31(28)41(33)22-36)34(42)38-48(44,45)39-14-16-47-17-15-39/h8-13,18-19,23,25,30,37H,3-7,14-17,20-22H2,1-2H3,(H,38,42)
• InChIKey: XLALTKXTDXCVMV-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 122.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	673.84
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-5-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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 71064580) is 19-cyclohexyl-5-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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 CNCC1C=CN1C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N4CCOCC4)cc3n1C2.

What is the InChIKey of 19-cyclohexyl-5-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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 XLALTKXTDXCVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43N5O6S/c1-37-21-25-12-13-40(25)35(43)36-20-30(36)29-19-26(46-2)9-11-27(29)33-32(23-6-4-3-5-7-23)28-10-8-24(18-31(28)41(33)22-36)34(42)38-48(44,45)39-14-16-47-17-15-39/h8-13,18-19,23,25,30,37H,3-7,14-17,20-22H2,1-2H3,(H,38,42).

What are the key properties of 19-cyclohexyl-5-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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 673.84 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 19-cyclohexyl-5-methoxy-10-[2-(methylaminomethyl)-2H-azete-1-carbonyl]-N-morpholin-4-ylsulfonyl-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 71064580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).