10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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

C41H45N5O5S — CID 25015083

About 10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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

10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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 (PubChem CID 25015083) has the molecular formula C41H45N5O5S and a molecular weight of 719.91 g/mol. Its IUPAC name is 10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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.

Molecular Properties

• Compound Name: 10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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
• PubChem CID: 25015083
• Molecular Formula: C41H45N5O5S
• Molecular Weight: 719.91 g/mol
• Exact Mass: 719.31
• IUPAC Name: 10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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
• SMILES: COc1ccc2c(c1)C1CC1(C(=O)N1CCC(c3ccc(C#N)cc3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
• InChI: InChI=1S/C41H45N5O5S/c1-44(2)52(49,50)43-39(47)30-13-15-33-36(21-30)46-25-41(40(48)45-19-17-28(18-20-45)27-11-9-26(24-42)10-12-27)23-35(41)34-22-31(51-3)14-16-32(34)38(46)37(33)29-7-5-4-6-8-29/h9-16,21-22,28-29,35H,4-8,17-20,23,25H2,1-3H3,(H,43,47)
• InChIKey: OCWGEDJBLXZWCX-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 124.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.91
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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?

The IUPAC name of 10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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 (CID 25015083) is 10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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.

What is the SMILES notation for 10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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?

The canonical SMILES for 10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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 is COc1ccc2c(c1)C1CC1(C(=O)N1CCC(c3ccc(C#N)cc3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.

What is the InChIKey of 10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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?

The InChIKey is OCWGEDJBLXZWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45N5O5S/c1-44(2)52(49,50)43-39(47)30-13-15-33-36(21-30)46-25-41(40(48)45-19-17-28(18-20-45)27-11-9-26(24-42)10-12-27)23-35(41)34-22-31(51-3)14-16-32(34)38(46)37(33)29-7-5-4-6-8-29/h9-16,21-22,28-29,35H,4-8,17-20,23,25H2,1-3H3,(H,43,47).

What are the key properties of 10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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?

10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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 has a molecular weight of 719.91 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(4-cyanophenyl)piperidine-1-carbonyl]-19-cyclohexyl-N-(dimethylsulfamoyl)-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 is sourced from PubChem (CID 25015083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).