2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide

C13H19BrN2O4S — CID 82916940

IUPAC2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C13H19BrN2O4S/c1-8(2)9(3)16-13(17)7-20-11-5-4-10(14)6-12(11)21(15,18)19/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyZULODLPJKPGKLK-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.64
Rot. Bonds6

About 2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide

2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 82916940) has the molecular formula C13H19BrN2O4S and a molecular weight of 379.28 g/mol. Its IUPAC name is 2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide
PubChem CID82916940
Molecular FormulaC13H19BrN2O4S
Molecular Weight379.28 g/mol
Exact Mass378.02
IUPAC Name2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C13H19BrN2O4S/c1-8(2)9(3)16-13(17)7-20-11-5-4-10(14)6-12(11)21(15,18)19/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyZULODLPJKPGKLK-UHFFFAOYSA-N
XLogP1.64
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910919
N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
CID 82914156
2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide
CID 82914401
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934
2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
CID 82916266
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
CID 82914474
N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide
CID 42977194
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
2-(4-bromo-2-methyl-6-sulfamoylphenoxy)-N-propan-2-ylacetamide
CID 82915401
5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 62104800
5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113386
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide (CID 82916940) is 2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)COc1ccc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is ZULODLPJKPGKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4S/c1-8(2)9(3)16-13(17)7-20-11-5-4-10(14)6-12(11)21(15,18)19/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide?
2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 379.28 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 82916940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).