2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide

C16H17BrN2O4S — CID 9141449

IUPAC2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)COc2ccc(Br)cc2)c1C
InChIInChI=1S/C16H17BrN2O4S/c1-10-7-14(24(18,21)22)8-15(11(10)2)19-16(20)9-23-13-5-3-12(17)4-6-13/h3-8H,9H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyBKALQCVGAYYBPW-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.73
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide

2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide (PubChem CID 9141449) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
PubChem CID9141449
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)COc2ccc(Br)cc2)c1C
InChIInChI=1S/C16H17BrN2O4S/c1-10-7-14(24(18,21)22)8-15(11(10)2)19-16(20)9-23-13-5-3-12(17)4-6-13/h3-8H,9H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyBKALQCVGAYYBPW-UHFFFAOYSA-N
XLogP2.73
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(2-fluorophenoxy)acetamide
CID 9141447
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide
CID 9141472
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
2-(2-cyanophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141494
2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60848496
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140402
N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 91689036
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide (CID 9141449) is 2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)COc2ccc(Br)cc2)c1C.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
The InChIKey is BKALQCVGAYYBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-10-7-14(24(18,21)22)8-15(11(10)2)19-16(20)9-23-13-5-3-12(17)4-6-13/h3-8H,9H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide?
2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide has a molecular weight of 413.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide is sourced from PubChem (CID 9141449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).