N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide

C16H14FN3O2S — CID 2117377

IUPACN-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESCCNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H14FN3O2S/c1-2-18-13(21)7-22-15-14-12(8-23-16(14)20-9-19-15)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,21)
InChIKeyUZLGEKRHLJAKSA-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.01
Rot. Bonds5

About N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide

N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (PubChem CID 2117377) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
PubChem CID2117377
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESCCNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H14FN3O2S/c1-2-18-13(21)7-22-15-14-12(8-23-16(14)20-9-19-15)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,21)
InChIKeyUZLGEKRHLJAKSA-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 1946404
3-{[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
CID 1948833
2-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}-N,N-dimethylacetamide
CID 2088075
N-[3-({5-phenylthieno[2,3-d]pyrimidin-4-yl}oxy)phenyl]acetamide
CID 4582216
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethanone
CID 2086366
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2100259
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(2-methoxyethyl)acetamide
CID 2161555
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide
CID 2484145
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 2553837
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 2997987
p-Tolyloxy-acetic acid N'-[2-(5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetyl]-hydrazide
CID 3167528
p-Tolyloxy-acetic acid N'-[2-(5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-propionyl]-hydrazide
CID 3167532

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (CID 2117377) is N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is CCNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The InChIKey is UZLGEKRHLJAKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-2-18-13(21)7-22-15-14-12(8-23-16(14)20-9-19-15)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,21).
What are the key properties of N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide has a molecular weight of 331.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 2117377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).