4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C26H38N4O2S — CID 11605227

About 4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 11605227) has the molecular formula C26H38N4O2S and a molecular weight of 470.68 g/mol. Its IUPAC name is 4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: 4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 11605227
• Molecular Formula: C26H38N4O2S
• Molecular Weight: 470.68 g/mol
• Exact Mass: 470.27
• IUPAC Name: 4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CCc1cc2c(cc3n2CC(C)(C(=O)NC2CCC(C)CC2)N(CCN2CCCC2)C3=O)s1
• InChI: InChI=1S/C26H38N4O2S/c1-4-20-15-21-23(33-20)16-22-24(31)30(14-13-28-11-5-6-12-28)26(3,17-29(21)22)25(32)27-19-9-7-18(2)8-10-19/h15-16,18-19H,4-14,17H2,1-3H3,(H,27,32)
• InChIKey: QJUPHSXZHLEFFV-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.68
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The IUPAC name of 4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 11605227) is 4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

What is the SMILES notation for 4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for 4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CCc1cc2c(cc3n2CC(C)(C(=O)NC2CCC(C)CC2)N(CCN2CCCC2)C3=O)s1.

What is the InChIKey of 4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The InChIKey is QJUPHSXZHLEFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2S/c1-4-20-15-21-23(33-20)16-22-24(31)30(14-13-28-11-5-6-12-28)26(3,17-29(21)22)25(32)27-19-9-7-18(2)8-10-19/h15-16,18-19H,4-14,17H2,1-3H3,(H,27,32).

What are the key properties of 4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 470.68 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 11605227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).