2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide

C19H14FN3O3S — CID 2085084

IUPAC2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NCc1ccco1
InChIInChI=1S/C19H14FN3O3S/c20-13-5-3-12(4-6-13)15-10-27-19-17(15)18(22-11-23-19)26-9-16(24)21-8-14-2-1-7-25-14/h1-7,10-11H,8-9H2,(H,21,24)
InChIKeyWQFGETAPNLWLEY-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.79
Rot. Bonds6

About 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide

2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide (PubChem CID 2085084) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide
PubChem CID2085084
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NCc1ccco1
InChIInChI=1S/C19H14FN3O3S/c20-13-5-3-12(4-6-13)15-10-27-19-17(15)18(22-11-23-19)26-9-16(24)21-8-14-2-1-7-25-14/h1-7,10-11H,8-9H2,(H,21,24)
InChIKeyWQFGETAPNLWLEY-UHFFFAOYSA-N
XLogP3.79
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3909766
N-butan-2-yl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 4005509
N-(2,5-difluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483830
N-(furan-2-ylmethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yloxy)acetamide
CID 2705719
2-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-3-(furan-2-yl)propan-1-ol
CID 42889942
N-(1-cyano-1-cyclopropylethyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 84602445
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(2-methoxyethyl)acetamide
CID 2081514
N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483706
N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2708025
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 2659377
N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3969297

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide (CID 2085084) is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide is O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NCc1ccco1.
What is the InChIKey of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide?
The InChIKey is WQFGETAPNLWLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c20-13-5-3-12(4-6-13)15-10-27-19-17(15)18(22-11-23-19)26-9-16(24)21-8-14-2-1-7-25-14/h1-7,10-11H,8-9H2,(H,21,24).
What are the key properties of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide?
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide has a molecular weight of 383.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2085084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).