2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

C21H17N3O3S — CID 17469602

IUPAC2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOc1cccc(CC(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)c1
InChIInChI=1S/C21H17N3O3S/c1-27-16-9-5-6-14(10-16)11-18(25)23-24-13-22-20-19(21(24)26)17(12-28-20)15-7-3-2-4-8-15/h2-10,12-13H,11H2,1H3,(H,23,25)
InChIKeyWJJCMWBYFNHCKB-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.45
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 17469602) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID17469602
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOc1cccc(CC(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)c1
InChIInChI=1S/C21H17N3O3S/c1-27-16-9-5-6-14(10-16)11-18(25)23-24-13-22-20-19(21(24)26)17(12-28-20)15-7-3-2-4-8-15/h2-10,12-13H,11H2,1H3,(H,23,25)
InChIKeyWJJCMWBYFNHCKB-UHFFFAOYSA-N
XLogP3.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 17469602) is 2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is COc1cccc(CC(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is WJJCMWBYFNHCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-27-16-9-5-6-14(10-16)11-18(25)23-24-13-22-20-19(21(24)26)17(12-28-20)15-7-3-2-4-8-15/h2-10,12-13H,11H2,1H3,(H,23,25).
What are the key properties of 2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 17469602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).