2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide

C16H16BrIN2O3S — CID 126378158

IUPAC2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
SMILESCc1cc(N(CC(=O)Nc2ccc(I)cc2)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C16H16BrIN2O3S/c1-11-9-14(7-8-15(11)17)20(24(2,22)23)10-16(21)19-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyXMEUDPRUQGLZJK-UHFFFAOYSA-N
MW523.19 g/mol
LogP3.77
Rot. Bonds5

About 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide

2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide (PubChem CID 126378158) has the molecular formula C16H16BrIN2O3S and a molecular weight of 523.19 g/mol. Its IUPAC name is 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
PubChem CID126378158
Molecular FormulaC16H16BrIN2O3S
Molecular Weight523.19 g/mol
Exact Mass521.91
IUPAC Name2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
SMILESCc1cc(N(CC(=O)Nc2ccc(I)cc2)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C16H16BrIN2O3S/c1-11-9-14(7-8-15(11)17)20(24(2,22)23)10-16(21)19-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyXMEUDPRUQGLZJK-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-butylphenyl)acetamide
CID 2224772
N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 126261953
N-(4-bromo-3-methylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 1338903
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 1265075
N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035088
2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 1326606
N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153931
N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153927
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752
N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2281663
methyl 4-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113153933

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide (CID 126378158) is 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide is Cc1cc(N(CC(=O)Nc2ccc(I)cc2)S(C)(=O)=O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide?
The InChIKey is XMEUDPRUQGLZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrIN2O3S/c1-11-9-14(7-8-15(11)17)20(24(2,22)23)10-16(21)19-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide?
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide has a molecular weight of 523.19 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 126378158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).