2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide

C17H19IN2O3S — CID 998752

IUPAC2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H19IN2O3S/c1-12-4-9-16(13(2)10-12)20(24(3,22)23)11-17(21)19-15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyWTTMESTWIXVPLG-UHFFFAOYSA-N
MW458.32 g/mol
LogP3.31
Rot. Bonds5

About 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide (PubChem CID 998752) has the molecular formula C17H19IN2O3S and a molecular weight of 458.32 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
PubChem CID998752
Molecular FormulaC17H19IN2O3S
Molecular Weight458.32 g/mol
Exact Mass458.02
IUPAC Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H19IN2O3S/c1-12-4-9-16(13(2)10-12)20(24(3,22)23)11-17(21)19-15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyWTTMESTWIXVPLG-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 53.31
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-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338023
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
CID 1361630
N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 998382
methyl 4-[[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 2212453
N-[4-(cyanomethyl)phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1138681
N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 17201138
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 2199663
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 2271321

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide (CID 998752) is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide?
The InChIKey is WTTMESTWIXVPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O3S/c1-12-4-9-16(13(2)10-12)20(24(3,22)23)11-17(21)19-15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide?
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide has a molecular weight of 458.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 998752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).