2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide

C17H17N3O3S — CID 2553837

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ncnc3sc(C)c(C)c23)c1
InChIInChI=1S/C17H17N3O3S/c1-10-11(2)24-17-15(10)16(18-9-19-17)23-8-14(21)20-12-5-4-6-13(7-12)22-3/h4-7,9H,8H2,1-3H3,(H,20,21)
InChIKeyOATRSMKEWYHNEK-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.33
Rot. Bonds5

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide (PubChem CID 2553837) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
PubChem CID2553837
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ncnc3sc(C)c(C)c23)c1
InChIInChI=1S/C17H17N3O3S/c1-10-11(2)24-17-15(10)16(18-9-19-17)23-8-14(21)20-12-5-4-6-13(7-12)22-3/h4-7,9H,8H2,1-3H3,(H,20,21)
InChIKeyOATRSMKEWYHNEK-UHFFFAOYSA-N
XLogP3.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide (CID 2553837) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2ncnc3sc(C)c(C)c23)c1.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide?
The InChIKey is OATRSMKEWYHNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-11(2)24-17-15(10)16(18-9-19-17)23-8-14(21)20-12-5-4-6-13(7-12)22-3/h4-7,9H,8H2,1-3H3,(H,20,21).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2553837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).