N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide

C16H16BrNO4S — CID 51174629

IUPACN-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(S(C)(=O)=O)cc2)ccc1Br
InChIInChI=1S/C16H16BrNO4S/c1-11-9-12(3-8-15(11)17)18-16(19)10-22-13-4-6-14(7-5-13)23(2,20)21/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyRLQURSWECYIGQE-UHFFFAOYSA-N
MW398.28 g/mol
LogP3.18
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide

N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide (PubChem CID 51174629) has the molecular formula C16H16BrNO4S and a molecular weight of 398.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
PubChem CID51174629
Molecular FormulaC16H16BrNO4S
Molecular Weight398.28 g/mol
Exact Mass397.00
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(S(C)(=O)=O)cc2)ccc1Br
InChIInChI=1S/C16H16BrNO4S/c1-11-9-12(3-8-15(11)17)18-16(19)10-22-13-4-6-14(7-5-13)23(2,20)21/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyRLQURSWECYIGQE-UHFFFAOYSA-N
XLogP3.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467598
methyl 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695168
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 78784962
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
2-(4-bromo-3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1329929
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide
CID 55358975
2-(4-bromo-3-methylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013498
N-(4-bromo-3-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154742

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide (CID 51174629) is N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide is Cc1cc(NC(=O)COc2ccc(S(C)(=O)=O)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide?
The InChIKey is RLQURSWECYIGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4S/c1-11-9-12(3-8-15(11)17)18-16(19)10-22-13-4-6-14(7-5-13)23(2,20)21/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide?
N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide has a molecular weight of 398.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide is sourced from PubChem (CID 51174629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).