19-cyclohexyl-5-methoxy-10-(4-methylpiperazine-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

C36H45N5O6S — CID 71146857

About 19-cyclohexyl-5-methoxy-10-(4-methylpiperazine-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-(4-methylpiperazine-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 71146857) has the molecular formula C36H45N5O6S and a molecular weight of 675.85 g/mol. Its IUPAC name is 19-cyclohexyl-5-methoxy-10-(4-methylpiperazine-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-(4-methylpiperazine-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: 71146857
• Molecular Formula: C36H45N5O6S
• Molecular Weight: 675.85 g/mol
• Exact Mass: 675.31
• IUPAC Name: 19-cyclohexyl-5-methoxy-10-(4-methylpiperazine-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: COc1ccc2c(c1)C1CC1(C(=O)N1CCN(C)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCOCC3)cc21
• InChI: InChI=1S/C36H45N5O6S/c1-38-12-14-39(15-13-38)35(43)36-22-30(36)29-21-26(46-2)9-11-27(29)33-32(24-6-4-3-5-7-24)28-10-8-25(20-31(28)41(33)23-36)34(42)37-48(44,45)40-16-18-47-19-17-40/h8-11,20-21,24,30H,3-7,12-19,22-23H2,1-2H3,(H,37,42)
• InChIKey: ACWHPFSNEGWBOX-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 113.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	675.85
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-5-methoxy-10-(4-methylpiperazine-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-(4-methylpiperazine-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 71146857) is 19-cyclohexyl-5-methoxy-10-(4-methylpiperazine-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-(4-methylpiperazine-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-(4-methylpiperazine-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 COc1ccc2c(c1)C1CC1(C(=O)N1CCN(C)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCOCC3)cc21.

What is the InChIKey of 19-cyclohexyl-5-methoxy-10-(4-methylpiperazine-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 ACWHPFSNEGWBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N5O6S/c1-38-12-14-39(15-13-38)35(43)36-22-30(36)29-21-26(46-2)9-11-27(29)33-32(24-6-4-3-5-7-24)28-10-8-25(20-31(28)41(33)23-36)34(42)37-48(44,45)40-16-18-47-19-17-40/h8-11,20-21,24,30H,3-7,12-19,22-23H2,1-2H3,(H,37,42).

What are the key properties of 19-cyclohexyl-5-methoxy-10-(4-methylpiperazine-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-(4-methylpiperazine-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 675.85 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 19-cyclohexyl-5-methoxy-10-(4-methylpiperazine-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 71146857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).