N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide

C11H14N2O5S — CID 47106502

IUPACN-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide
SMILESCNC(=O)NC(=O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H14N2O5S/c1-12-11(15)13-10(14)7-18-8-3-5-9(6-4-8)19(2,16)17/h3-6H,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyZAOFFTFQNFHRHO-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.08
Rot. Bonds4

About N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide

N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide (PubChem CID 47106502) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide
PubChem CID47106502
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC NameN-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide
SMILESCNC(=O)NC(=O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H14N2O5S/c1-12-11(15)13-10(14)7-18-8-3-5-9(6-4-8)19(2,16)17/h3-6H,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyZAOFFTFQNFHRHO-UHFFFAOYSA-N
XLogP-0.08
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

potassium N-[[2-(4-methylsulfonylphenoxy)acetyl]amino]carbamodithioate
CID 23674470
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791448
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174485
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
2-(3-chlorophenoxy)-N-(methylcarbamoyl)acetamide
CID 2707679
N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174629
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide
CID 100815509
2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 51247133
N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174585
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide (CID 47106502) is N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide is CNC(=O)NC(=O)COc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide?
The InChIKey is ZAOFFTFQNFHRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-12-11(15)13-10(14)7-18-8-3-5-9(6-4-8)19(2,16)17/h3-6H,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide?
N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide has a molecular weight of 286.31 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide is sourced from PubChem (CID 47106502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).