3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide

C17H17N3O2S — CID 51303590

IUPAC3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide
SMILESCCc1cc2c(=O)n(CCC(=O)Nc3ccccc3)cnc2s1
InChIInChI=1S/C17H17N3O2S/c1-2-13-10-14-16(23-13)18-11-20(17(14)22)9-8-15(21)19-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,19,21)
InChIKeyCMQXOXQRTDELTR-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.05
Rot. Bonds5

About 3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide

3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide (PubChem CID 51303590) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide
PubChem CID51303590
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide
SMILESCCc1cc2c(=O)n(CCC(=O)Nc3ccccc3)cnc2s1
InChIInChI=1S/C17H17N3O2S/c1-2-13-10-14-16(23-13)18-11-20(17(14)22)9-8-15(21)19-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,19,21)
InChIKeyCMQXOXQRTDELTR-UHFFFAOYSA-N
XLogP3.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 78814974
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-phenylpropanamide
CID 17492925
2-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]isoindole-1,3-dione
CID 18202999
N-cyclopropyl-3-[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 36707078
6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 9145858
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 35380372
N-[(3,4-dimethylphenyl)carbamoyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 33086255
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 18203223
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 38979915
6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one
CID 18100074
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 18203072

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide?
The IUPAC name of 3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide (CID 51303590) is 3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide is CCc1cc2c(=O)n(CCC(=O)Nc3ccccc3)cnc2s1.
What is the InChIKey of 3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide?
The InChIKey is CMQXOXQRTDELTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-13-10-14-16(23-13)18-11-20(17(14)22)9-8-15(21)19-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,19,21).
What are the key properties of 3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide?
3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide has a molecular weight of 327.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide is sourced from PubChem (CID 51303590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).