2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C17H18BrNO3S — CID 18096212

IUPAC2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H18BrNO3S/c1-12(14-5-9-16(10-6-14)23(2,21)22)19-17(20)11-13-3-7-15(18)8-4-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyGTMYQQHXYQUWRC-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.27
Rot. Bonds5

About 2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 18096212) has the molecular formula C17H18BrNO3S and a molecular weight of 396.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID18096212
Molecular FormulaC17H18BrNO3S
Molecular Weight396.31 g/mol
Exact Mass395.02
IUPAC Name2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H18BrNO3S/c1-12(14-5-9-16(10-6-14)23(2,21)22)19-17(20)11-13-3-7-15(18)8-4-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyGTMYQQHXYQUWRC-UHFFFAOYSA-N
XLogP3.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433081
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 7948932
N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide
CID 110771263
3-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 18096269
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 18096212) is 2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is CC(NC(=O)Cc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is GTMYQQHXYQUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3S/c1-12(14-5-9-16(10-6-14)23(2,21)22)19-17(20)11-13-3-7-15(18)8-4-13/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 396.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 18096212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).