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

C19H21N3O2S — CID 2483706

IUPACN-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESCc1ccc(-c2csc3ncnc(OCC(=O)NC(C)(C)C)c23)cc1
InChIInChI=1S/C19H21N3O2S/c1-12-5-7-13(8-6-12)14-10-25-18-16(14)17(20-11-21-18)24-9-15(23)22-19(2,3)4/h5-8,10-11H,9H2,1-4H3,(H,22,23)
InChIKeyRUPOBICJJMFEFT-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.96
Rot. Bonds4

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

N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (PubChem CID 2483706) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
PubChem CID2483706
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESCc1ccc(-c2csc3ncnc(OCC(=O)NC(C)(C)C)c23)cc1
InChIInChI=1S/C19H21N3O2S/c1-12-5-7-13(8-6-12)14-10-25-18-16(14)17(20-11-21-18)24-9-15(23)22-19(2,3)4/h5-8,10-11H,9H2,1-4H3,(H,22,23)
InChIKeyRUPOBICJJMFEFT-UHFFFAOYSA-N
XLogP3.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3909766
N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2708025
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-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483746
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-(4-nitrophenyl)acetamide
CID 3487204
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483739
N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3969297
N-(1-cyano-1-cyclopropylethyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 84602445
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3344765
N-butan-2-yl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 4005509

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (CID 2483706) is N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is Cc1ccc(-c2csc3ncnc(OCC(=O)NC(C)(C)C)c23)cc1.
What is the InChIKey of N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The InChIKey is RUPOBICJJMFEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-5-7-13(8-6-12)14-10-25-18-16(14)17(20-11-21-18)24-9-15(23)22-19(2,3)4/h5-8,10-11H,9H2,1-4H3,(H,22,23).
What are the key properties of N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide has a molecular weight of 355.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 2483706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).