N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide

C17H16N2O4S — CID 46396038

IUPACN-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2ccc3sccc3c2=O)cc(OC)c1
InChIInChI=1S/C17H16N2O4S/c1-22-12-7-11(8-13(9-12)23-2)18-16(20)10-19-5-3-15-14(17(19)21)4-6-24-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyOJFISKCKDGNWOX-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.72
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide

N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 46396038) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID46396038
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2ccc3sccc3c2=O)cc(OC)c1
InChIInChI=1S/C17H16N2O4S/c1-22-12-7-11(8-13(9-12)23-2)18-16(20)10-19-5-3-15-14(17(19)21)4-6-24-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyOJFISKCKDGNWOX-UHFFFAOYSA-N
XLogP2.72
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396068
N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115912011
N-(3-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396043
N-(4-bromo-2-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396051
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
N-cyclopentyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396035
N-cyclohexyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396089
N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821989
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 50839920
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956857
N-(3,5-dimethoxyphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2109103

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide (CID 46396038) is N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide is COc1cc(NC(=O)Cn2ccc3sccc3c2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is OJFISKCKDGNWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-22-12-7-11(8-13(9-12)23-2)18-16(20)10-19-5-3-15-14(17(19)21)4-6-24-15/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 46396038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).