2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide

C19H22BrFN2O5S — CID 43077928

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)Oc2ccc(F)cc2Br)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H22BrFN2O5S/c1-5-27-17-9-7-14(11-18(17)29(25,26)23(3)4)22-19(24)12(2)28-16-8-6-13(21)10-15(16)20/h6-12H,5H2,1-4H3,(H,22,24)
InChIKeyNKOQZNIYARFOAI-UHFFFAOYSA-N
MW489.36 g/mol
LogP3.64
Rot. Bonds8

About 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide (PubChem CID 43077928) has the molecular formula C19H22BrFN2O5S and a molecular weight of 489.36 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
PubChem CID43077928
Molecular FormulaC19H22BrFN2O5S
Molecular Weight489.36 g/mol
Exact Mass488.04
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)Oc2ccc(F)cc2Br)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H22BrFN2O5S/c1-5-27-17-9-7-14(11-18(17)29(25,26)23(3)4)22-19(24)12(2)28-16-8-6-13(21)10-15(16)20/h6-12H,5H2,1-4H3,(H,22,24)
InChIKeyNKOQZNIYARFOAI-UHFFFAOYSA-N
XLogP3.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 55773525
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
CID 9470181
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984636
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728755
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
CID 119273235
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)acetamide
CID 120666806
2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 18280186
ethyl 3-[4-[2-(2-bromo-4-fluorophenoxy)propanoylamino]phenyl]prop-2-enoate
CID 55686063
N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 31743532
N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942871

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide (CID 43077928) is 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide is CCOc1ccc(NC(=O)C(C)Oc2ccc(F)cc2Br)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide?
The InChIKey is NKOQZNIYARFOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2O5S/c1-5-27-17-9-7-14(11-18(17)29(25,26)23(3)4)22-19(24)12(2)28-16-8-6-13(21)10-15(16)20/h6-12H,5H2,1-4H3,(H,22,24).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide has a molecular weight of 489.36 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide is sourced from PubChem (CID 43077928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).