2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide

C19H14N4O3S2 — CID 53497696

IUPAC2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide
SMILESO=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C19H14N4O3S2/c24-15(22-19(26)21-12-5-2-1-3-6-12)9-23-11-20-17-16(18(23)25)13(10-28-17)14-7-4-8-27-14/h1-8,10-11H,9H2,(H2,21,22,24,26)
InChIKeyWCERPNXQUKRJAR-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide

2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide (PubChem CID 53497696) has the molecular formula C19H14N4O3S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide
PubChem CID53497696
Molecular FormulaC19H14N4O3S2
Molecular Weight410.48 g/mol
Exact Mass410.05
IUPAC Name2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide
SMILESO=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C19H14N4O3S2/c24-15(22-19(26)21-12-5-2-1-3-6-12)9-23-11-20-17-16(18(23)25)13(10-28-17)14-7-4-8-27-14/h1-8,10-11H,9H2,(H2,21,22,24,26)
InChIKeyWCERPNXQUKRJAR-UHFFFAOYSA-N
XLogP3.53
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 30266765
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
CID 52719526
N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55450729
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pentan-3-ylacetamide
CID 24680950
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 17455120
N-cycloheptyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4783612
N-(3-aminopropyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 119404828
N-methyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-phenylacetamide
CID 17497145
N-(2-ethylsulfonylphenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55613603
2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-propylacetamide
CID 18162794
N-(1H-indazol-5-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55517371
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26954496

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide (CID 53497696) is 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide is O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide?
The InChIKey is WCERPNXQUKRJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S2/c24-15(22-19(26)21-12-5-2-1-3-6-12)9-23-11-20-17-16(18(23)25)13(10-28-17)14-7-4-8-27-14/h1-8,10-11H,9H2,(H2,21,22,24,26).
What are the key properties of 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide?
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide has a molecular weight of 410.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 53497696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).