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

C13H20N2O4S — CID 82912493

IUPAC2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide
SMILESCc1cc(S(N)(=O)=O)c(C)cc1OC(C)C(=O)N(C)C
InChIInChI=1S/C13H20N2O4S/c1-8-7-12(20(14,17)18)9(2)6-11(8)19-10(3)13(16)15(4)5/h6-7,10H,1-5H3,(H2,14,17,18)
InChIKeyUDACYQFFXLUKRE-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.81
Rot. Bonds4

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

2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide (PubChem CID 82912493) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide
PubChem CID82912493
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide
SMILESCc1cc(S(N)(=O)=O)c(C)cc1OC(C)C(=O)N(C)C
InChIInChI=1S/C13H20N2O4S/c1-8-7-12(20(14,17)18)9(2)6-11(8)19-10(3)13(16)15(4)5/h6-7,10H,1-5H3,(H2,14,17,18)
InChIKeyUDACYQFFXLUKRE-UHFFFAOYSA-N
XLogP0.81
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide
CID 82912061
N-carbamoyl-2-(2,5-dimethyl-4-sulfamoylphenoxy)propanamide
CID 82913324
2-(2,5-dichloro-4-sulfamoylphenoxy)-N,N-dimethylpropanamide
CID 82914905
2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide
CID 107896256
4-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-2-methylbenzenesulfonyl chloride
CID 82916562
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
CID 43164561
2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
CID 43143214
2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 43164355
2,4,5-trimethylbenzenesulfonamide
CID 961422
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
2-(3-methyl-4-sulfamoylphenoxy)propanamide
CID 82915497
2-(2-amino-5-chlorophenoxy)-N,N-dimethylpropanamide
CID 62303980

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide (CID 82912493) is 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide is Cc1cc(S(N)(=O)=O)c(C)cc1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide?
The InChIKey is UDACYQFFXLUKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-8-7-12(20(14,17)18)9(2)6-11(8)19-10(3)13(16)15(4)5/h6-7,10H,1-5H3,(H2,14,17,18).
What are the key properties of 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide?
2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 82912493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).