2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide

C12H17BrN2O4S — CID 82915401

IUPAC2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide
SMILESCc1cc(Br)cc(S(N)(=O)=O)c1OCC(=O)NC(C)C
InChIInChI=1S/C12H17BrN2O4S/c1-7(2)15-11(16)6-19-12-8(3)4-9(13)5-10(12)20(14,17)18/h4-5,7H,6H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyQMZAMJOOKUGYMM-UHFFFAOYSA-N
MW365.25 g/mol
LogP1.31
Rot. Bonds5

About 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide

2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide (PubChem CID 82915401) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide
PubChem CID82915401
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide
SMILESCc1cc(Br)cc(S(N)(=O)=O)c1OCC(=O)NC(C)C
InChIInChI=1S/C12H17BrN2O4S/c1-7(2)15-11(16)6-19-12-8(3)4-9(13)5-10(12)20(14,17)18/h4-5,7H,6H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyQMZAMJOOKUGYMM-UHFFFAOYSA-N
XLogP1.31
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-ethylacetamide
CID 82915317
5-bromo-3-methyl-2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 82915970
2-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-N-propan-2-ylacetamide
CID 115961183
5-(4-bromo-2-methyl-6-sulfamoylphenoxy)pentanoic acid
CID 63214399
5-bromo-2-but-2-ynoxy-3-methylbenzenesulfonamide
CID 82914496
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 82916940
2-(4-bromo-2-chloro-6-sulfamoylphenoxy)acetamide
CID 82920977
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propan-2-ylpropanamide
CID 82917914
5-bromo-3-methyl-2-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82911745
2-(4-bromo-2-formyl-6-methylphenoxy)-N-butan-2-ylacetamide
CID 112620746
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-butan-2-ylacetamide
CID 112621010

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide (CID 82915401) is 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide is Cc1cc(Br)cc(S(N)(=O)=O)c1OCC(=O)NC(C)C.
What is the InChIKey of 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is QMZAMJOOKUGYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-7(2)15-11(16)6-19-12-8(3)4-9(13)5-10(12)20(14,17)18/h4-5,7H,6H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide?
2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 365.25 g/mol, XLogP of 1.31, 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-propan-2-ylacetamide is sourced from PubChem (CID 82915401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).