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

C21H17N3O2S — CID 2708025

IUPACN-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCc1ccc(NC(=O)COc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C21H17N3O2S/c1-14-7-9-16(10-8-14)24-18(25)11-26-20-19-17(15-5-3-2-4-6-15)12-27-21(19)23-13-22-20/h2-10,12-13H,11H2,1H3,(H,24,25)
InChIKeyYOZBNRXYRZBXJA-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.68
Rot. Bonds5

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

N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide (PubChem CID 2708025) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
PubChem CID2708025
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCc1ccc(NC(=O)COc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C21H17N3O2S/c1-14-7-9-16(10-8-14)24-18(25)11-26-20-19-17(15-5-3-2-4-6-15)12-27-21(19)23-13-22-20/h2-10,12-13H,11H2,1H3,(H,24,25)
InChIKeyYOZBNRXYRZBXJA-UHFFFAOYSA-N
XLogP4.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483746
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(4-nitrophenyl)acetamide
CID 3487204
N-(4-butan-2-ylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 4202691
N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 112775965
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3344765
2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 2419526
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
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 2659377
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-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 84602431

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide (CID 2708025) is N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide is Cc1ccc(NC(=O)COc2ncnc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The InChIKey is YOZBNRXYRZBXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-14-7-9-16(10-8-14)24-18(25)11-26-20-19-17(15-5-3-2-4-6-15)12-27-21(19)23-13-22-20/h2-10,12-13H,11H2,1H3,(H,24,25).
What are the key properties of N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide has a molecular weight of 375.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 2708025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).