2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide

C18H20BrNO4S — CID 55778334

IUPAC2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)C(C)Oc1ccc(C)cc1Br
InChIInChI=1S/C18H20BrNO4S/c1-4-25(22,23)17-8-6-5-7-15(17)20-18(21)13(3)24-16-10-9-12(2)11-14(16)19/h5-11,13H,4H2,1-3H3,(H,20,21)
InChIKeyMVSVMJWCYJHPMY-UHFFFAOYSA-N
MW426.33 g/mol
LogP3.96
Rot. Bonds6

About 2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide

2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide (PubChem CID 55778334) has the molecular formula C18H20BrNO4S and a molecular weight of 426.33 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide
PubChem CID55778334
Molecular FormulaC18H20BrNO4S
Molecular Weight426.33 g/mol
Exact Mass425.03
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)C(C)Oc1ccc(C)cc1Br
InChIInChI=1S/C18H20BrNO4S/c1-4-25(22,23)17-8-6-5-7-15(17)20-18(21)13(3)24-16-10-9-12(2)11-14(16)19/h5-11,13H,4H2,1-3H3,(H,20,21)
InChIKeyMVSVMJWCYJHPMY-UHFFFAOYSA-N
XLogP3.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-acetylphenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 8958059
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
2-(2-bromo-4-methylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633931
(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 837584
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 55523747
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 56581617
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 55773525
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide
CID 40736855

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide (CID 55778334) is 2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide is CCS(=O)(=O)c1ccccc1NC(=O)C(C)Oc1ccc(C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide?
The InChIKey is MVSVMJWCYJHPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4S/c1-4-25(22,23)17-8-6-5-7-15(17)20-18(21)13(3)24-16-10-9-12(2)11-14(16)19/h5-11,13H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide?
2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide has a molecular weight of 426.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(2-ethylsulfonylphenyl)propanamide is sourced from PubChem (CID 55778334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).