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

C17H16N2O2S — CID 46396068

IUPACN-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2ccc3sccc3c2=O)c1
InChIInChI=1S/C17H16N2O2S/c1-11-7-12(2)9-13(8-11)18-16(20)10-19-5-3-15-14(17(19)21)4-6-22-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyXPJSZTUNNDONOU-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.32
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 46396068) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID46396068
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2ccc3sccc3c2=O)c1
InChIInChI=1S/C17H16N2O2S/c1-11-7-12(2)9-13(8-11)18-16(20)10-19-5-3-15-14(17(19)21)4-6-22-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyXPJSZTUNNDONOU-UHFFFAOYSA-N
XLogP3.32
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396038
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-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
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-(1-methoxypropan-2-yl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 103985530
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide
CID 46395161
N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591694
N-cyclohexyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396089
N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906485

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide (CID 46396068) is N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide is Cc1cc(C)cc(NC(=O)Cn2ccc3sccc3c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is XPJSZTUNNDONOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-7-12(2)9-13(8-11)18-16(20)10-19-5-3-15-14(17(19)21)4-6-22-15/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 46396068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).