N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide

C13H17NO4S — CID 114232961

IUPACN-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide
SMILESCCNC(=O)CS(=O)(=O)CC(=O)c1cccc(C)c1
InChIInChI=1S/C13H17NO4S/c1-3-14-13(16)9-19(17,18)8-12(15)11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyMXELWZYWZUUWAQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.73
Rot. Bonds6

About N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide

N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide (PubChem CID 114232961) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide
PubChem CID114232961
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide
SMILESCCNC(=O)CS(=O)(=O)CC(=O)c1cccc(C)c1
InChIInChI=1S/C13H17NO4S/c1-3-14-13(16)9-19(17,18)8-12(15)11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyMXELWZYWZUUWAQ-UHFFFAOYSA-N
XLogP0.73
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfonylacetamide
CID 114232957
1-(3-methylphenyl)-2-(2-methylpropylsulfonyl)ethanone
CID 64641630
2-(3-methoxypropylsulfonyl)-1-(3-methylphenyl)ethanone
CID 64637916
1-(3-methylphenyl)butan-1-one
CID 4304992
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39162194
ethyl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetyl]amino]benzoate
CID 7732178
N-ethylsulfonyl-3-methylbenzamide
CID 18331692
N-(ethylcarbamothioyl)-3-methylbenzamide
CID 4947765
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
3-(ethylamino)-1-(3-methylphenyl)butan-1-one
CID 116566722
N-butyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 86923016
2-ethylsulfonyl-1-phenylethanone
CID 19033550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide?
The IUPAC name of N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide (CID 114232961) is N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide.
What is the SMILES notation for N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide?
The canonical SMILES for N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide is CCNC(=O)CS(=O)(=O)CC(=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide?
The InChIKey is MXELWZYWZUUWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-3-14-13(16)9-19(17,18)8-12(15)11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide?
N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide has a molecular weight of 283.35 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(3-methylphenyl)-2-oxoethyl]sulfonylacetamide is sourced from PubChem (CID 114232961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).