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

C17H19BrN2O3S — CID 42919756

IUPAC2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-12(14-5-9-16(10-6-14)24(19,22)23)20(2)17(21)11-13-3-7-15(18)8-4-13/h3-10,12H,11H2,1-2H3,(H2,19,22,23)
InChIKeyVOQRONMFXBCQNB-UHFFFAOYSA-N
MW411.32 g/mol
LogP2.86
Rot. Bonds5

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

2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 42919756) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID42919756
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-12(14-5-9-16(10-6-14)24(19,22)23)20(2)17(21)11-13-3-7-15(18)8-4-13/h3-10,12H,11H2,1-2H3,(H2,19,22,23)
InChIKeyVOQRONMFXBCQNB-UHFFFAOYSA-N
XLogP2.86
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615150
2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide
CID 78843902
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55551706
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 42919947
3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51292168
N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
CID 166191857
N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46642308

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (CID 42919756) is 2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is VOQRONMFXBCQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-12(14-5-9-16(10-6-14)24(19,22)23)20(2)17(21)11-13-3-7-15(18)8-4-13/h3-10,12H,11H2,1-2H3,(H2,19,22,23).
What are the key properties of 2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 411.32 g/mol, XLogP of 2.86, 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-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 42919756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).