N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide

C17H19BrN2O3S — CID 30169089

IUPACN-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(C)c1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C17H19BrN2O3S/c1-12-7-6-8-13(2)17(12)20(24(3,22)23)11-16(21)19-15-10-5-4-9-14(15)18/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeySOJWPKNYWSQZNM-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.47
Rot. Bonds5

About N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide

N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30169089) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID30169089
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC NameN-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(C)c1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C17H19BrN2O3S/c1-12-7-6-8-13(2)17(12)20(24(3,22)23)11-16(21)19-15-10-5-4-9-14(15)18/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeySOJWPKNYWSQZNM-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 17201030
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1144938
N-naphthalen-1-yl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30259474
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1097920
2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 126030274
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 113157644
N-(2-bromophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1100120
N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30268728
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1372880

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide (CID 30169089) is N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide is Cc1cccc(C)c1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is SOJWPKNYWSQZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-12-7-6-8-13(2)17(12)20(24(3,22)23)11-16(21)19-15-10-5-4-9-14(15)18/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide?
N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 411.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30169089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).