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

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

(11R)-N-cyclohexyl-4-ethyl-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92721292) has the molecular formula C25H37N3O2S2 and a molecular weight of 475.72 g/mol. Its IUPAC name is (11R)-N-cyclohexyl-4-ethyl-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

Compound Name	(11R)-N-cyclohexyl-4-ethyl-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID	92721292
Molecular Formula	C25H37N3O2S2
Molecular Weight	475.72 g/mol
Exact Mass	475.23
IUPAC Name	(11R)-N-cyclohexyl-4-ethyl-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILES	CCCSCCCN1C(=O)c2cc3sc(CC)cc3n2C[C@]1(C)C(=O)NC1CCCCC1
InChI	InChI=1S/C25H37N3O2S2/c1-4-13-31-14-9-12-28-23(29)21-16-22-20(15-19(5-2)32-22)27(21)17-25(28,3)24(30)26-18-10-7-6-8-11-18/h15-16,18H,4-14,17H2,1-3H3,(H,26,30)/t25-/m1/s1
InChIKey	DZBYQDJTJORNFS-RUZDIDTESA-N
XLogP	5.46
TPSA	54.34 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.72
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of (11R)-N-cyclohexyl-4-ethyl-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92721292) is (11R)-N-cyclohexyl-4-ethyl-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

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

The canonical SMILES for (11R)-N-cyclohexyl-4-ethyl-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CCCSCCCN1C(=O)c2cc3sc(CC)cc3n2C[C@]1(C)C(=O)NC1CCCCC1.

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

The InChIKey is DZBYQDJTJORNFS-RUZDIDTESA-N. The full InChI is InChI=1S/C25H37N3O2S2/c1-4-13-31-14-9-12-28-23(29)21-16-22-20(15-19(5-2)32-22)27(21)17-25(28,3)24(30)26-18-10-7-6-8-11-18/h15-16,18H,4-14,17H2,1-3H3,(H,26,30)/t25-/m1/s1.

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

(11R)-N-cyclohexyl-4-ethyl-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 475.72 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-N-cyclohexyl-4-ethyl-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 92721292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).