2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide

C11H15BrN2O4S — CID 82915317

IUPAC2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1c(C)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C11H15BrN2O4S/c1-3-14-10(15)6-18-11-7(2)4-8(12)5-9(11)19(13,16)17/h4-5H,3,6H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyUHNIRRWWBMJCOV-UHFFFAOYSA-N
MW351.22 g/mol
LogP0.92
Rot. Bonds5

About 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide

2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide (PubChem CID 82915317) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide
PubChem CID82915317
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Name2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1c(C)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C11H15BrN2O4S/c1-3-14-10(15)6-18-11-7(2)4-8(12)5-9(11)19(13,16)17/h4-5H,3,6H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyUHNIRRWWBMJCOV-UHFFFAOYSA-N
XLogP0.92
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide
CID 82915401
2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide
CID 82914401
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-ethylacetamide
CID 112621650
5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 82915970
5-bromo-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylbenzenesulfonyl chloride
CID 82911753
5-(4-bromo-2-methyl-6-sulfamoylphenoxy)pentanoic acid
CID 63214399
N-(2-cyanoethyl)-2-(2,4-dimethyl-6-sulfamoylphenoxy)acetamide
CID 82915793
5-bromo-2-but-2-ynoxy-3-methylbenzenesulfonamide
CID 82914496
2-[4-bromo-2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-N-ethylacetamide
CID 115961792
2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide
CID 62057922
2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 79844124
2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82913877

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide (CID 82915317) is 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide is CCNC(=O)COc1c(C)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide?
The InChIKey is UHNIRRWWBMJCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c1-3-14-10(15)6-18-11-7(2)4-8(12)5-9(11)19(13,16)17/h4-5H,3,6H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide?
2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide has a molecular weight of 351.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide is sourced from PubChem (CID 82915317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).