3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide

C15H12N2O2S — CID 115886525

IUPAC3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
SMILESNC(=O)c1cccc(Cn2ccc3sccc3c2=O)c1
InChIInChI=1S/C15H12N2O2S/c16-14(18)11-3-1-2-10(8-11)9-17-6-4-13-12(15(17)19)5-7-20-13/h1-8H,9H2,(H2,16,18)
InChIKeyHQRZOTCZAADUMY-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.21
Rot. Bonds3

About 3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide

3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide (PubChem CID 115886525) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
PubChem CID115886525
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
SMILESNC(=O)c1cccc(Cn2ccc3sccc3c2=O)c1
InChIInChI=1S/C15H12N2O2S/c16-14(18)11-3-1-2-10(8-11)9-17-6-4-13-12(15(17)19)5-7-20-13/h1-8H,9H2,(H2,16,18)
InChIKeyHQRZOTCZAADUMY-UHFFFAOYSA-N
XLogP2.21
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886543
5-[(4-hydroxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 116626911
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
5-[(3,4-dimethoxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103990875
5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 113347683
5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 115912066
3-[(4-methylindol-1-yl)methyl]benzamide
CID 116620217
N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115912011
5-[(2-amino-6-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 112556948
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577338
5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886559
5-[(3-fluoro-4-nitrophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 115912029

Frequently Asked Questions

What is the IUPAC name of 3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide?
The IUPAC name of 3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide (CID 115886525) is 3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide is NC(=O)c1cccc(Cn2ccc3sccc3c2=O)c1.
What is the InChIKey of 3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide?
The InChIKey is HQRZOTCZAADUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c16-14(18)11-3-1-2-10(8-11)9-17-6-4-13-12(15(17)19)5-7-20-13/h1-8H,9H2,(H2,16,18).
What are the key properties of 3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide?
3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide has a molecular weight of 284.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide is sourced from PubChem (CID 115886525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).