N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C16H15N3O4S — CID 2614117

IUPACN-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCOc1ccc(NC(=O)COc2ncnc3sccc23)cc1OC
InChIInChI=1S/C16H15N3O4S/c1-21-12-4-3-10(7-13(12)22-2)19-14(20)8-23-15-11-5-6-24-16(11)18-9-17-15/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyJMEADMCATKLSED-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.73
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2614117) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2614117
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCOc1ccc(NC(=O)COc2ncnc3sccc23)cc1OC
InChIInChI=1S/C16H15N3O4S/c1-21-12-4-3-10(7-13(12)22-2)19-14(20)8-23-15-11-5-6-24-16(11)18-9-17-15/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyJMEADMCATKLSED-UHFFFAOYSA-N
XLogP2.73
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705200
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 53483897
N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705201
N-(2-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2614067
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 5217799
N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2536928
N-(2-chlorophenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705204
N-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086700
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2475845
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19175722

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2614117) is N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is COc1ccc(NC(=O)COc2ncnc3sccc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is JMEADMCATKLSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-21-12-4-3-10(7-13(12)22-2)19-14(20)8-23-15-11-5-6-24-16(11)18-9-17-15/h3-7,9H,8H2,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 345.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2614117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).