2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C17H16N4O3S2 — CID 24523052

About 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 24523052) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

• Compound Name: 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
• PubChem CID: 24523052
• Molecular Formula: C17H16N4O3S2
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.07
• IUPAC Name: 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
• SMILES: O=C(Cn1cnc2sc3c(c2c1=O)CCC3)NC(=O)NCc1cccs1
• InChI: InChI=1S/C17H16N4O3S2/c22-13(20-17(24)18-7-10-3-2-6-25-10)8-21-9-19-15-14(16(21)23)11-4-1-5-12(11)26-15/h2-3,6,9H,1,4-5,7-8H2,(H2,18,20,22,24)
• InChIKey: GVIZWHXBJAHJAW-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?

The IUPAC name of 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 24523052) is 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

What is the SMILES notation for 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?

The canonical SMILES for 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide is O=C(Cn1cnc2sc3c(c2c1=O)CCC3)NC(=O)NCc1cccs1.

What is the InChIKey of 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?

The InChIKey is GVIZWHXBJAHJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c22-13(20-17(24)18-7-10-3-2-6-25-10)8-21-9-19-15-14(16(21)23)11-4-1-5-12(11)26-15/h2-3,6,9H,1,4-5,7-8H2,(H2,18,20,22,24).

What are the key properties of 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?

2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 24523052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).