2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

C19H23BrN2O3S — CID 27243950

IUPAC2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-14-5-4-6-15(2)19(14)21-18(23)13-22(3)11-12-26(24,25)17-9-7-16(20)8-10-17/h4-10H,11-13H2,1-3H3,(H,21,23)
InChIKeyMALZHQXDYOLKCP-UHFFFAOYSA-N
MW439.38 g/mol
LogP3.41
Rot. Bonds7

About 2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 27243950) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID27243950
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC Name2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-14-5-4-6-15(2)19(14)21-18(23)13-22(3)11-12-26(24,25)17-9-7-16(20)8-10-17/h4-10H,11-13H2,1-3H3,(H,21,23)
InChIKeyMALZHQXDYOLKCP-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
N-(2,6-dimethylphenyl)-2-[methyl(methylsulfonylsulfanylmethyl)amino]acetamide
CID 22174350
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide
CID 18005848
N-(4-bromo-2-chlorophenyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38344585
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 45371881
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
N-(2,6-dimethylphenyl)-2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9221772
N-(2,6-dimethylphenyl)-2-[methyl-(4-phenylphenyl)sulfonylamino]acetamide
CID 55908373
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 4869977
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 27243950) is 2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)CCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is MALZHQXDYOLKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-14-5-4-6-15(2)19(14)21-18(23)13-22(3)11-12-26(24,25)17-9-7-16(20)8-10-17/h4-10H,11-13H2,1-3H3,(H,21,23).
What are the key properties of 2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 439.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)sulfonylethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 27243950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).