6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

C19H23N3O2S — CID 78452202

About 6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (PubChem CID 78452202) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

Molecular Properties

• Compound Name: 6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• PubChem CID: 78452202
• Molecular Formula: C19H23N3O2S
• Molecular Weight: 357.48 g/mol
• Exact Mass: 357.15
• IUPAC Name: 6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• SMILES: CC(C)NC(=O)N1CC2CC(C1)c1ccc(-c3cccs3)c(=O)n1C2
• InChI: InChI=1S/C19H23N3O2S/c1-12(2)20-19(24)21-9-13-8-14(11-21)16-6-5-15(17-4-3-7-25-17)18(23)22(16)10-13/h3-7,12-14H,8-11H2,1-2H3,(H,20,24)
• InChIKey: LIKGCMDGEVAVQO-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.48
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The IUPAC name of 6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (CID 78452202) is 6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

What is the SMILES notation for 6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The canonical SMILES for 6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is CC(C)NC(=O)N1CC2CC(C1)c1ccc(-c3cccs3)c(=O)n1C2.

What is the InChIKey of 6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The InChIKey is LIKGCMDGEVAVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12(2)20-19(24)21-9-13-8-14(11-21)16-6-5-15(17-4-3-7-25-17)18(23)22(16)10-13/h3-7,12-14H,8-11H2,1-2H3,(H,20,24).

What are the key properties of 6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-oxo-N-propan-2-yl-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is sourced from PubChem (CID 78452202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).