N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide

C11H15NO5S — CID 94282290

IUPACN-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide
SMILESCOc1ccc(OC)c(C(=O)CNS(C)(=O)=O)c1
InChIInChI=1S/C11H15NO5S/c1-16-8-4-5-11(17-2)9(6-8)10(13)7-12-18(3,14)15/h4-6,12H,7H2,1-3H3
InChIKeyCGGWDPWLMDIPIF-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.44
Rot. Bonds6

About N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide

N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide (PubChem CID 94282290) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide
PubChem CID94282290
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC NameN-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide
SMILESCOc1ccc(OC)c(C(=O)CNS(C)(=O)=O)c1
InChIInChI=1S/C11H15NO5S/c1-16-8-4-5-11(17-2)9(6-8)10(13)7-12-18(3,14)15/h4-6,12H,7H2,1-3H3
InChIKeyCGGWDPWLMDIPIF-UHFFFAOYSA-N
XLogP0.44
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94698323
1-(2,5-dimethoxyphenyl)-2-(prop-2-enylamino)ethanone
CID 82102263
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
5-chloro-1-(2,5-dimethoxyphenyl)pentan-1-one
CID 18931430
1-(2,5-dimethoxyphenyl)-3,3-diethoxypropan-1-one
CID 115480661
1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792599
1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
CID 115795487

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide (CID 94282290) is N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide is COc1ccc(OC)c(C(=O)CNS(C)(=O)=O)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide?
The InChIKey is CGGWDPWLMDIPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-16-8-4-5-11(17-2)9(6-8)10(13)7-12-18(3,14)15/h4-6,12H,7H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide?
N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide has a molecular weight of 273.31 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 94282290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).