N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide

C16H12N2O2S — CID 71423060

IUPACN-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide
SMILESCC(=O)Nc1sc2cnccc2c1C(=O)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c1-10(19)18-16-14(12-7-8-17-9-13(12)21-16)15(20)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)
InChIKeyWIPFXXHWZXCGNL-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.49
Rot. Bonds3

About N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide

N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide (PubChem CID 71423060) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide
PubChem CID71423060
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC NameN-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide
SMILESCC(=O)Nc1sc2cnccc2c1C(=O)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c1-10(19)18-16-14(12-7-8-17-9-13(12)21-16)15(20)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)
InChIKeyWIPFXXHWZXCGNL-UHFFFAOYSA-N
XLogP3.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide?
The IUPAC name of N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide (CID 71423060) is N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide?
The canonical SMILES for N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide is CC(=O)Nc1sc2cnccc2c1C(=O)c1ccccc1.
What is the InChIKey of N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide?
The InChIKey is WIPFXXHWZXCGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c1-10(19)18-16-14(12-7-8-17-9-13(12)21-16)15(20)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19).
What are the key properties of N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide?
N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide has a molecular weight of 296.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 71423060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).