2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide

C17H20BrN3O3S — CID 29449798

IUPAC2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C17H20BrN3O3S/c1-21(2)25(23,24)16-6-4-3-5-13(16)11-20-17(22)12-19-15-9-7-14(18)8-10-15/h3-10,19H,11-12H2,1-2H3,(H,20,22)
InChIKeyFSXFCJKZKAUUTC-UHFFFAOYSA-N
MW426.34 g/mol
LogP2.43
Rot. Bonds7

About 2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide

2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 29449798) has the molecular formula C17H20BrN3O3S and a molecular weight of 426.34 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
PubChem CID29449798
Molecular FormulaC17H20BrN3O3S
Molecular Weight426.34 g/mol
Exact Mass425.04
IUPAC Name2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C17H20BrN3O3S/c1-21(2)25(23,24)16-6-4-3-5-13(16)11-20-17(22)12-19-15-9-7-14(18)8-10-15/h3-10,19H,11-12H2,1-2H3,(H,20,22)
InChIKeyFSXFCJKZKAUUTC-UHFFFAOYSA-N
XLogP2.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 29455429
2-(2,6-dimethylanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32908705
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide
CID 55540372
2-(benzylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 24614024
4-tert-butyl-N-[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 26060387
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide
CID 30459248
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 55859179
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 29455899
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide (CID 29449798) is 2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is FSXFCJKZKAUUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3S/c1-21(2)25(23,24)16-6-4-3-5-13(16)11-20-17(22)12-19-15-9-7-14(18)8-10-15/h3-10,19H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide?
2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 426.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 29449798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).