2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide

C18H20BrClN2O4S — CID 16528143

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C18H20BrClN2O4S/c1-11-5-7-14(27(24,25)22(3)4)10-16(11)21-18(23)12(2)26-17-8-6-13(19)9-15(17)20/h5-10,12H,1-4H3,(H,21,23)
InChIKeyBOMUJUAZIUNOFC-UHFFFAOYSA-N
MW475.79 g/mol
LogP4.07
Rot. Bonds6

About 2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide

2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide (PubChem CID 16528143) has the molecular formula C18H20BrClN2O4S and a molecular weight of 475.79 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
PubChem CID16528143
Molecular FormulaC18H20BrClN2O4S
Molecular Weight475.79 g/mol
Exact Mass474.00
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C18H20BrClN2O4S/c1-11-5-7-14(27(24,25)22(3)4)10-16(11)21-18(23)12(2)26-17-8-6-13(19)9-15(17)20/h5-10,12H,1-4H3,(H,21,23)
InChIKeyBOMUJUAZIUNOFC-UHFFFAOYSA-N
XLogP4.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.79
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 51915891
2-(2-bromo-4-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 24647615
[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 16523214
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2-chloro-4,5-difluorobenzoate
CID 16528277
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
CID 61258908
[(2R)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825202
[(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825203
2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 3593320
[(2R)-1-(2-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523838

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide (CID 16528143) is 2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)Oc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The InChIKey is BOMUJUAZIUNOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O4S/c1-11-5-7-14(27(24,25)22(3)4)10-16(11)21-18(23)12(2)26-17-8-6-13(19)9-15(17)20/h5-10,12H,1-4H3,(H,21,23).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide has a molecular weight of 475.79 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide is sourced from PubChem (CID 16528143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).