2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide

C17H19BrN2O4S — CID 84603772

IUPAC2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H19BrN2O4S/c1-12(24-16-10-5-4-9-15(16)18)17(21)19-13-7-6-8-14(11-13)25(22,23)20(2)3/h4-12H,1-3H3,(H,19,21)
InChIKeyWWVWYPWBWIHWJK-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.11
Rot. Bonds6

About 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide

2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 84603772) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID84603772
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC Name2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H19BrN2O4S/c1-12(24-16-10-5-4-9-15(16)18)17(21)19-13-7-6-8-14(11-13)25(22,23)20(2)3/h4-12H,1-3H3,(H,19,21)
InChIKeyWWVWYPWBWIHWJK-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 6472883
(2R)-2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 40639361
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 18146312
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7847691
2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 42989899
3-[2-(2-bromophenoxy)propanoylamino]benzoic acid
CID 17341904
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811653
(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8579892
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] butanoate
CID 7796832
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7864249

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide (CID 84603772) is 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide is CC(Oc1ccccc1Br)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is WWVWYPWBWIHWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-12(24-16-10-5-4-9-15(16)18)17(21)19-13-7-6-8-14(11-13)25(22,23)20(2)3/h4-12H,1-3H3,(H,19,21).
What are the key properties of 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 427.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 84603772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).