N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide

C19H23BrN2O4S — CID 43873669

IUPACN-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C19H23BrN2O4S/c1-13-10-17(27(24,25)22(3)4)8-9-18(13)26-12-19(23)21-14(2)15-6-5-7-16(20)11-15/h5-11,14H,12H2,1-4H3,(H,21,23)
InChIKeyMXECNGYXUUWSAZ-UHFFFAOYSA-N
MW455.37 g/mol
LogP3.26
Rot. Bonds7

About N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide

N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide (PubChem CID 43873669) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide
PubChem CID43873669
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C19H23BrN2O4S/c1-13-10-17(27(24,25)22(3)4)8-9-18(13)26-12-19(23)21-14(2)15-6-5-7-16(20)11-15/h5-11,14H,12H2,1-4H3,(H,21,23)
InChIKeyMXECNGYXUUWSAZ-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28554860
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28555099
2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402183
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28555179
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28555474
2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873667
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43872604
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 28554997
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 28555896
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 28555994
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(4-bromophenyl)ethyl]acetamide
CID 43873557

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide (CID 43873669) is N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide is Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NC(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide?
The InChIKey is MXECNGYXUUWSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-13-10-17(27(24,25)22(3)4)8-9-18(13)26-12-19(23)21-14(2)15-6-5-7-16(20)11-15/h5-11,14H,12H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide?
N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide has a molecular weight of 455.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide is sourced from PubChem (CID 43873669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).