2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide

C15H15NO3S — CID 43231129

IUPAC2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide
SMILESCc1cc(C(=O)COc2ccccc2C(N)=O)c(C)s1
InChIInChI=1S/C15H15NO3S/c1-9-7-12(10(2)20-9)13(17)8-19-14-6-4-3-5-11(14)15(16)18/h3-7H,8H2,1-2H3,(H2,16,18)
InChIKeyGIMOHMSPFDEHMS-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.73
Rot. Bonds5

About 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide

2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide (PubChem CID 43231129) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide
PubChem CID43231129
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide
SMILESCc1cc(C(=O)COc2ccccc2C(N)=O)c(C)s1
InChIInChI=1S/C15H15NO3S/c1-9-7-12(10(2)20-9)13(17)8-19-14-6-4-3-5-11(14)15(16)18/h3-7H,8H2,1-2H3,(H2,16,18)
InChIKeyGIMOHMSPFDEHMS-UHFFFAOYSA-N
XLogP2.73
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612483
2-phenacyloxybenzamide
CID 43218588
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate
CID 8861754
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662304
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-(4-benzoylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 7604377
2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide
CID 78789436
2-(2-bromo-4-methoxyphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 104708049
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7629034
2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612324
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide (CID 43231129) is 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide is Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)s1.
What is the InChIKey of 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide?
The InChIKey is GIMOHMSPFDEHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-9-7-12(10(2)20-9)13(17)8-19-14-6-4-3-5-11(14)15(16)18/h3-7H,8H2,1-2H3,(H2,16,18).
What are the key properties of 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide?
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide has a molecular weight of 289.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 43231129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).