2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

C16H17BrN2O4S — CID 9012584

IUPAC2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)COc2cccc(Br)c2)ccc1C
InChIInChI=1S/C16H17BrN2O4S/c1-11-6-7-13(9-15(11)24(21,22)18-2)19-16(20)10-23-14-5-3-4-12(17)8-14/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeySWNNQVHOJDDBCY-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.68
Rot. Bonds6

About 2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide (PubChem CID 9012584) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
PubChem CID9012584
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)COc2cccc(Br)c2)ccc1C
InChIInChI=1S/C16H17BrN2O4S/c1-11-6-7-13(9-15(11)24(21,22)18-2)19-16(20)10-23-14-5-3-4-12(17)8-14/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeySWNNQVHOJDDBCY-UHFFFAOYSA-N
XLogP2.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510085
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 8578282
2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide
CID 23966900
1-(3-bromophenyl)-3-[4-methyl-3-(methylsulfamoyl)phenyl]thiourea
CID 9237503
2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 1120128
5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717493
N-[4-[[[2-(3-bromophenoxy)acetyl]amino]carbamoyl]phenyl]-5-tert-butyl-2-methylbenzenesulfonamide
CID 4844443
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
(E)-3-(3-bromophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 9106995

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide (CID 9012584) is 2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1cc(NC(=O)COc2cccc(Br)c2)ccc1C.
What is the InChIKey of 2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is SWNNQVHOJDDBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-11-6-7-13(9-15(11)24(21,22)18-2)19-16(20)10-23-14-5-3-4-12(17)8-14/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 413.29 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 9012584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).