N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

C21H17N3O2S — CID 1178172

IUPACN-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1ccccc1
InChIInChI=1S/C21H17N3O2S/c25-19(22-12-15-7-3-1-4-8-15)13-24-14-23-20-17(21(24)26)11-18(27-20)16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,22,25)
InChIKeyCFQQCVLLPDYURE-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.44
Rot. Bonds5

About N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 1178172) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID1178172
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1ccccc1
InChIInChI=1S/C21H17N3O2S/c25-19(22-12-15-7-3-1-4-8-15)13-24-14-23-20-17(21(24)26)11-18(27-20)16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,22,25)
InChIKeyCFQQCVLLPDYURE-UHFFFAOYSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 1178172) is N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is CFQQCVLLPDYURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-19(22-12-15-7-3-1-4-8-15)13-24-14-23-20-17(21(24)26)11-18(27-20)16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,22,25).
What are the key properties of N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 375.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 1178172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).