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

C17H16FN3O2S — CID 18203223

IUPAC2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCc1cc2c(=O)n(CC(=O)NCc3ccccc3F)cnc2s1
InChIInChI=1S/C17H16FN3O2S/c1-2-12-7-13-16(24-12)20-10-21(17(13)23)9-15(22)19-8-11-5-3-4-6-14(11)18/h3-7,10H,2,8-9H2,1H3,(H,19,22)
InChIKeyJNOCFORLXCKCTM-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.48
Rot. Bonds5

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

2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 18203223) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID18203223
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCc1cc2c(=O)n(CC(=O)NCc3ccccc3F)cnc2s1
InChIInChI=1S/C17H16FN3O2S/c1-2-12-7-13-16(24-12)20-10-21(17(13)23)9-15(22)19-8-11-5-3-4-6-14(11)18/h3-7,10H,2,8-9H2,1H3,(H,19,22)
InChIKeyJNOCFORLXCKCTM-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 18203223) is 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide is CCc1cc2c(=O)n(CC(=O)NCc3ccccc3F)cnc2s1.
What is the InChIKey of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is JNOCFORLXCKCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-2-12-7-13-16(24-12)20-10-21(17(13)23)9-15(22)19-8-11-5-3-4-6-14(11)18/h3-7,10H,2,8-9H2,1H3,(H,19,22).
What are the key properties of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 18203223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).