2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide

C17H19BrN2O3S — CID 126030274

IUPAC2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1C
InChIInChI=1S/C17H19BrN2O3S/c1-12-5-4-6-16(13(12)2)19-17(21)11-20(24(3,22)23)15-9-7-14(18)8-10-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyCDVDAJXRSZHJMI-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide

2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 126030274) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
PubChem CID126030274
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1C
InChIInChI=1S/C17H19BrN2O3S/c1-12-5-4-6-16(13(12)2)19-17(21)11-20(24(3,22)23)15-9-7-14(18)8-10-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyCDVDAJXRSZHJMI-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-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 2175051
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
N-(2,3-dimethylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1317874
N-(2,3-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30262005
2-(4-bromo-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 21372849
N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 30169089
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methylphenyl)acetamide
CID 30257873
N-(2,3-dimethylphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 2948916
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 51344158
2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314108

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide (CID 126030274) is 2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1C.
What is the InChIKey of 2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is CDVDAJXRSZHJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-12-5-4-6-16(13(12)2)19-17(21)11-20(24(3,22)23)15-9-7-14(18)8-10-15/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide?
2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)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 2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 126030274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).