2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C20H23N3O3S — CID 24538992

IUPAC2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(NC(=O)COc3ccccc3C(C)(C)C)cnc2s1
InChIInChI=1S/C20H23N3O3S/c1-5-13-10-14-18(27-13)21-12-23(19(14)25)22-17(24)11-26-16-9-7-6-8-15(16)20(2,3)4/h6-10,12H,5,11H2,1-4H3,(H,22,24)
InChIKeyVFVGCBNLQRXLOF-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.47
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 24538992) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID24538992
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(NC(=O)COc3ccccc3C(C)(C)C)cnc2s1
InChIInChI=1S/C20H23N3O3S/c1-5-13-10-14-18(27-13)21-12-23(19(14)25)22-17(24)11-26-16-9-7-6-8-15(16)20(2,3)4/h6-10,12H,5,11H2,1-4H3,(H,22,24)
InChIKeyVFVGCBNLQRXLOF-UHFFFAOYSA-N
XLogP3.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 24538992) is 2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCc1cc2c(=O)n(NC(=O)COc3ccccc3C(C)(C)C)cnc2s1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is VFVGCBNLQRXLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-5-13-10-14-18(27-13)21-12-23(19(14)25)22-17(24)11-26-16-9-7-6-8-15(16)20(2,3)4/h6-10,12H,5,11H2,1-4H3,(H,22,24).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 24538992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).