N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide

C11H15NO4S — CID 58597503

IUPACN-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H15NO4S/c1-3-17(14,15)12-8-11(13)9-4-6-10(16-2)7-5-9/h4-7,12H,3,8H2,1-2H3
InChIKeyOIDYCQWKDCOUOD-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.82
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide

N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide (PubChem CID 58597503) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide
PubChem CID58597503
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC NameN-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H15NO4S/c1-3-17(14,15)12-8-11(13)9-4-6-10(16-2)7-5-9/h4-7,12H,3,8H2,1-2H3
InChIKeyOIDYCQWKDCOUOD-UHFFFAOYSA-N
XLogP0.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94258475
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
CID 2782518
3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
CID 16751964
1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone
CID 10085154
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
CID 82101862
2-chloro-1-(4-methoxyphenyl)-2-methylsulfonylbutan-1-one
CID 102549800
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide (CID 58597503) is N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide is CCS(=O)(=O)NCC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide?
The InChIKey is OIDYCQWKDCOUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-17(14,15)12-8-11(13)9-4-6-10(16-2)7-5-9/h4-7,12H,3,8H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide?
N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide is sourced from PubChem (CID 58597503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).