2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide

C18H21BrN2O4S — CID 55812284

IUPAC2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-13(25-16-8-6-15(19)7-9-16)18(22)20-12-14-4-10-17(11-5-14)26(23,24)21(2)3/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyXZSPHKQVAXPRIP-UHFFFAOYSA-N
MW441.35 g/mol
LogP2.78
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide

2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide (PubChem CID 55812284) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide
PubChem CID55812284
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-13(25-16-8-6-15(19)7-9-16)18(22)20-12-14-4-10-17(11-5-14)26(23,24)21(2)3/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyXZSPHKQVAXPRIP-UHFFFAOYSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 54783367
2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55596800
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 132666019
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-phenylpropanamide
CID 94861743
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28561746
(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide
CID 119735475
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
CID 9165332
2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide
CID 133240516
2-(4-bromophenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55709018
2-(4-bromophenoxy)-N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]propanamide
CID 46477042

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide (CID 55812284) is 2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide is CC(Oc1ccc(Br)cc1)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide?
The InChIKey is XZSPHKQVAXPRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-13(25-16-8-6-15(19)7-9-16)18(22)20-12-14-4-10-17(11-5-14)26(23,24)21(2)3/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide?
2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide has a molecular weight of 441.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55812284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).