2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide

C12H18N2O4S — CID 82912061

IUPAC2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cc(C)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C12H18N2O4S/c1-7-6-11(19(13,16)17)8(2)5-10(7)18-9(3)12(15)14-4/h5-6,9H,1-4H3,(H,14,15)(H2,13,16,17)
InChIKeyGJSMISKMLHMHPV-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.46
Rot. Bonds4

About 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide

2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide (PubChem CID 82912061) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide
PubChem CID82912061
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cc(C)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C12H18N2O4S/c1-7-6-11(19(13,16)17)8(2)5-10(7)18-9(3)12(15)14-4/h5-6,9H,1-4H3,(H,14,15)(H2,13,16,17)
InChIKeyGJSMISKMLHMHPV-UHFFFAOYSA-N
XLogP0.46
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-(2,5-dimethyl-4-sulfamoylphenoxy)propanamide
CID 82913324
2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide
CID 82912493
2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide
CID 107896256
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 47115044
2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide
CID 82921728
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propan-2-ylpropanamide
CID 82917914
2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide
CID 82914816
2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 43164355
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
CID 43164561
2-(4-amino-2,5-dimethylphenoxy)-N-carbamoylpropanamide
CID 63181045
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide
CID 82917132

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide?
The IUPAC name of 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide (CID 82912061) is 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide.
What is the SMILES notation for 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide?
The canonical SMILES for 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide is CNC(=O)C(C)Oc1cc(C)c(S(N)(=O)=O)cc1C.
What is the InChIKey of 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide?
The InChIKey is GJSMISKMLHMHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-7-6-11(19(13,16)17)8(2)5-10(7)18-9(3)12(15)14-4/h5-6,9H,1-4H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide?
2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide has a molecular weight of 286.35 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide is sourced from PubChem (CID 82912061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).