N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide

C19H21N3O3S — CID 84602431

IUPACN-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESCOCC(C)NC(=O)COc1ncnc2scc(-c3ccc(C)cc3)c12
InChIInChI=1S/C19H21N3O3S/c1-12-4-6-14(7-5-12)15-10-26-19-17(15)18(20-11-21-19)25-9-16(23)22-13(2)8-24-3/h4-7,10-11,13H,8-9H2,1-3H3,(H,22,23)
InChIKeyKBYSFBVJGLDWHQ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.20
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide

N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (PubChem CID 84602431) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
PubChem CID84602431
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESCOCC(C)NC(=O)COc1ncnc2scc(-c3ccc(C)cc3)c12
InChIInChI=1S/C19H21N3O3S/c1-12-4-6-14(7-5-12)15-10-26-19-17(15)18(20-11-21-19)25-9-16(23)22-13(2)8-24-3/h4-7,10-11,13H,8-9H2,1-3H3,(H,22,23)
InChIKeyKBYSFBVJGLDWHQ-UHFFFAOYSA-N
XLogP3.20
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 2659377
N-butan-2-yl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 4005509
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-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483746
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(2-methoxyethyl)acetamide
CID 2081514
N-[(2R)-1-methoxypropan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2474930
N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 112775965
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-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3969297
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 2408869

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (CID 84602431) is N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is COCC(C)NC(=O)COc1ncnc2scc(-c3ccc(C)cc3)c12.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The InChIKey is KBYSFBVJGLDWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12-4-6-14(7-5-12)15-10-26-19-17(15)18(20-11-21-19)25-9-16(23)22-13(2)8-24-3/h4-7,10-11,13H,8-9H2,1-3H3,(H,22,23).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide has a molecular weight of 371.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 84602431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).