2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide

C17H18N4O3S2 — CID 18162794

IUPAC2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C17H18N4O3S2/c1-2-5-18-13(22)7-19-14(23)8-21-10-20-16-15(17(21)24)11(9-26-16)12-4-3-6-25-12/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,18,22)(H,19,23)
InChIKeyQQHKKLYTVUHEBY-UHFFFAOYSA-N
MW390.49 g/mol
LogP1.83
Rot. Bonds7

About 2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide

2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide (PubChem CID 18162794) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide
PubChem CID18162794
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C17H18N4O3S2/c1-2-5-18-13(22)7-19-14(23)8-21-10-20-16-15(17(21)24)11(9-26-16)12-4-3-6-25-12/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,18,22)(H,19,23)
InChIKeyQQHKKLYTVUHEBY-UHFFFAOYSA-N
XLogP1.83
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide (CID 18162794) is 2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O.
What is the InChIKey of 2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide?
The InChIKey is QQHKKLYTVUHEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-2-5-18-13(22)7-19-14(23)8-21-10-20-16-15(17(21)24)11(9-26-16)12-4-3-6-25-12/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide?
2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide has a molecular weight of 390.49 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 18162794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).