N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C16H14FN3O2S — CID 4878715

IUPACN-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(NC(=O)COc1ncnc2sccc12)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2S/c1-10(11-2-4-12(17)5-3-11)20-14(21)8-22-15-13-6-7-23-16(13)19-9-18-15/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyIYNSCIPDJXKWKW-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.09
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 4878715) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID4878715
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(NC(=O)COc1ncnc2sccc12)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2S/c1-10(11-2-4-12(17)5-3-11)20-14(21)8-22-15-13-6-7-23-16(13)19-9-18-15/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyIYNSCIPDJXKWKW-UHFFFAOYSA-N
XLogP3.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2536928
N-[(2R)-1-methoxypropan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2474930
N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2475845
N-propyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2469755
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
N-[1-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 13038313
N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705201
N-[1-(4-fluorophenyl)ethyl]-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 17449472
N-[(1R)-1-phenylethyl]-2-quinazolin-4-yloxyacetamide
CID 2392998
N-[(2-methoxyphenyl)methyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705199
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 4878715) is N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is CC(NC(=O)COc1ncnc2sccc12)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is IYNSCIPDJXKWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-10(11-2-4-12(17)5-3-11)20-14(21)8-22-15-13-6-7-23-16(13)19-9-18-15/h2-7,9-10H,8H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 331.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 4878715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).