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

C22H19N3O3S — CID 2483746

IUPACN-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESCOc1ccc(NC(=O)COc2ncnc3scc(-c4ccc(C)cc4)c23)cc1
InChIInChI=1S/C22H19N3O3S/c1-14-3-5-15(6-4-14)18-12-29-22-20(18)21(23-13-24-22)28-11-19(26)25-16-7-9-17(27-2)10-8-16/h3-10,12-13H,11H2,1-2H3,(H,25,26)
InChIKeyXDHISNPEOZKOBS-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.69
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (PubChem CID 2483746) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
PubChem CID2483746
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESCOc1ccc(NC(=O)COc2ncnc3scc(-c4ccc(C)cc4)c23)cc1
InChIInChI=1S/C22H19N3O3S/c1-14-3-5-15(6-4-14)18-12-29-22-20(18)21(23-13-24-22)28-11-19(26)25-16-7-9-17(27-2)10-8-16/h3-10,12-13H,11H2,1-2H3,(H,25,26)
InChIKeyXDHISNPEOZKOBS-UHFFFAOYSA-N
XLogP4.69
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2708025
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483739
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
N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483706
N-[(4-methylphenyl)methyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3909766
N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 112775965
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 2659377
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
N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3969297
2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 16553270

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (CID 2483746) is N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is COc1ccc(NC(=O)COc2ncnc3scc(-c4ccc(C)cc4)c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The InChIKey is XDHISNPEOZKOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14-3-5-15(6-4-14)18-12-29-22-20(18)21(23-13-24-22)28-11-19(26)25-16-7-9-17(27-2)10-8-16/h3-10,12-13H,11H2,1-2H3,(H,25,26).
What are the key properties of N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide has a molecular weight of 405.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 2483746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).