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

C22H16FN3O3S — CID 2121735

IUPACN-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESCC(=O)c1ccccc1NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C22H16FN3O3S/c1-13(27)16-4-2-3-5-18(16)26-19(28)10-29-21-20-17(11-30-22(20)25-12-24-21)14-6-8-15(23)9-7-14/h2-9,11-12H,10H2,1H3,(H,26,28)
InChIKeyNSLSOGCPUCIXBA-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.72
Rot. Bonds6

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

N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (PubChem CID 2121735) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
PubChem CID2121735
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC NameN-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESCC(=O)c1ccccc1NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C22H16FN3O3S/c1-13(27)16-4-2-3-5-18(16)26-19(28)10-29-21-20-17(11-30-22(20)25-12-24-21)14-6-8-15(23)9-7-14/h2-9,11-12H,10H2,1H3,(H,26,28)
InChIKeyNSLSOGCPUCIXBA-UHFFFAOYSA-N
XLogP4.72
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (CID 2121735) is N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is CC(=O)c1ccccc1NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The InChIKey is NSLSOGCPUCIXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3S/c1-13(27)16-4-2-3-5-18(16)26-19(28)10-29-21-20-17(11-30-22(20)25-12-24-21)14-6-8-15(23)9-7-14/h2-9,11-12H,10H2,1H3,(H,26,28).
What are the key properties of N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide has a molecular weight of 421.45 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 2121735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).