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

C23H21N3O2S — CID 112775965

IUPACN-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESCCc1ccccc1NC(=O)COc1ncnc2scc(-c3ccc(C)cc3)c12
InChIInChI=1S/C23H21N3O2S/c1-3-16-6-4-5-7-19(16)26-20(27)12-28-22-21-18(13-29-23(21)25-14-24-22)17-10-8-15(2)9-11-17/h4-11,13-14H,3,12H2,1-2H3,(H,26,27)
InChIKeyQDPVOMSAUFDGQY-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.25
Rot. Bonds6

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

N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (PubChem CID 112775965) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
PubChem CID112775965
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESCCc1ccccc1NC(=O)COc1ncnc2scc(-c3ccc(C)cc3)c12
InChIInChI=1S/C23H21N3O2S/c1-3-16-6-4-5-7-19(16)26-20(27)12-28-22-21-18(13-29-23(21)25-14-24-22)17-10-8-15(2)9-11-17/h4-11,13-14H,3,12H2,1-2H3,(H,26,27)
InChIKeyQDPVOMSAUFDGQY-UHFFFAOYSA-N
XLogP5.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2708025
N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483706
N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3969297
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483739
N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483746
N-[(4-methylphenyl)methyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3909766
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(4-nitrophenyl)acetamide
CID 3487204
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3344765
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 2659377
N-(2,5-difluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483830
N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 84602431
N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 4202691

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (CID 112775965) is N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is CCc1ccccc1NC(=O)COc1ncnc2scc(-c3ccc(C)cc3)c12.
What is the InChIKey of N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The InChIKey is QDPVOMSAUFDGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-3-16-6-4-5-7-19(16)26-20(27)12-28-22-21-18(13-29-23(21)25-14-24-22)17-10-8-15(2)9-11-17/h4-11,13-14H,3,12H2,1-2H3,(H,26,27).
What are the key properties of N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide has a molecular weight of 403.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 112775965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).