N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide

C15H15NO3S — CID 43222115

IUPACN-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)c1ccc(C)s1
InChIInChI=1S/C15H15NO3S/c1-10-7-8-15(20-10)13(18)9-19-14-6-4-3-5-12(14)16-11(2)17/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeySDDMIARXAALSED-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.28
Rot. Bonds5

About N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide

N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 43222115) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide
PubChem CID43222115
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)c1ccc(C)s1
InChIInChI=1S/C15H15NO3S/c1-10-7-8-15(20-10)13(18)9-19-14-6-4-3-5-12(14)16-11(2)17/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeySDDMIARXAALSED-UHFFFAOYSA-N
XLogP3.28
TPSA55.40 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612233
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide
CID 30235975
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide
CID 33251204
N-[2-[2-(4-ethoxyphenyl)-2-oxoethoxy]phenyl]acetamide
CID 2443275
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide
CID 43413534
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 113223306
2-(2-acetamidophenoxy)-N,N-diethylacetamide
CID 7688277
2-(2-acetamidophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 2566695

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide (CID 43222115) is N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC(=O)c1ccc(C)s1.
What is the InChIKey of N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is SDDMIARXAALSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-10-7-8-15(20-10)13(18)9-19-14-6-4-3-5-12(14)16-11(2)17/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide?
N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 289.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 43222115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).