N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide

C17H18BrNO4S — CID 166391674

IUPACN-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccccc1CC(=O)Nc1cc(C)cc(Br)c1O
InChIInChI=1S/C17H18BrNO4S/c1-3-24(22,23)15-7-5-4-6-12(15)10-16(20)19-14-9-11(2)8-13(18)17(14)21/h4-9,21H,3,10H2,1-2H3,(H,19,20)
InChIKeyFGENENUVGBAHAK-UHFFFAOYSA-N
MW412.31 g/mol
LogP3.44
Rot. Bonds5

About N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide

N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide (PubChem CID 166391674) has the molecular formula C17H18BrNO4S and a molecular weight of 412.31 g/mol. Its IUPAC name is N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide
PubChem CID166391674
Molecular FormulaC17H18BrNO4S
Molecular Weight412.31 g/mol
Exact Mass411.01
IUPAC NameN-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccccc1CC(=O)Nc1cc(C)cc(Br)c1O
InChIInChI=1S/C17H18BrNO4S/c1-3-24(22,23)15-7-5-4-6-12(15)10-16(20)19-14-9-11(2)8-13(18)17(14)21/h4-9,21H,3,10H2,1-2H3,(H,19,20)
InChIKeyFGENENUVGBAHAK-UHFFFAOYSA-N
XLogP3.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide
CID 126991929
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide
CID 154796792
2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide
CID 55778334
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-(3-chlorophenyl)acetamide
CID 22618247
2-[(2-bromophenyl)methylamino]-4,6-dimethylphenol
CID 135038178
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383
2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide
CID 81499893
N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-pyridin-3-ylacetamide
CID 71978991
N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide
CID 166195214
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 8798603

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide (CID 166391674) is N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccccc1CC(=O)Nc1cc(C)cc(Br)c1O.
What is the InChIKey of N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide?
The InChIKey is FGENENUVGBAHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4S/c1-3-24(22,23)15-7-5-4-6-12(15)10-16(20)19-14-9-11(2)8-13(18)17(14)21/h4-9,21H,3,10H2,1-2H3,(H,19,20).
What are the key properties of N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide?
N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide has a molecular weight of 412.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-hydroxy-5-methylphenyl)-2-(2-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 166391674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).