N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C18H16F3N3O4S — CID 5217799

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C18H16F3N3O4S/c1-26-5-6-27-14-3-2-11(18(19,20)21)8-13(14)24-15(25)9-28-16-12-4-7-29-17(12)23-10-22-16/h2-4,7-8,10H,5-6,9H2,1H3,(H,24,25)
InChIKeySZLSOUCNKNFPQF-UHFFFAOYSA-N
MW427.40 g/mol
LogP3.75
Rot. Bonds8

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 5217799) has the molecular formula C18H16F3N3O4S and a molecular weight of 427.40 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID5217799
Molecular FormulaC18H16F3N3O4S
Molecular Weight427.40 g/mol
Exact Mass427.08
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C18H16F3N3O4S/c1-26-5-6-27-14-3-2-11(18(19,20)21)8-13(14)24-15(25)9-28-16-12-4-7-29-17(12)23-10-22-16/h2-4,7-8,10H,5-6,9H2,1H3,(H,24,25)
InChIKeySZLSOUCNKNFPQF-UHFFFAOYSA-N
XLogP3.75
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34281761
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 2632480
N-(2-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2614067
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 17454228
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-bromobenzoate
CID 16539970
N-[(2R)-1-methoxypropan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2474930
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 2645076
[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-methylthiophene-2-carboxylate
CID 7835097
2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 52847984
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 27118158
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 46789582

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 5217799) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ncnc2sccc12.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is SZLSOUCNKNFPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4S/c1-26-5-6-27-14-3-2-11(18(19,20)21)8-13(14)24-15(25)9-28-16-12-4-7-29-17(12)23-10-22-16/h2-4,7-8,10H,5-6,9H2,1H3,(H,24,25).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 427.40 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 5217799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).