2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide

C17H19IN2O3S — CID 22299913

IUPAC2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
SMILESCc1ccc(CS(=O)(=O)NCC(=O)Nc2ccc(I)cc2)c(C)c1
InChIInChI=1S/C17H19IN2O3S/c1-12-3-4-14(13(2)9-12)11-24(22,23)19-10-17(21)20-16-7-5-15(18)6-8-16/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyCMQSBNILCXTJNR-UHFFFAOYSA-N
MW458.32 g/mol
LogP2.97
Rot. Bonds6

About 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide

2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide (PubChem CID 22299913) has the molecular formula C17H19IN2O3S and a molecular weight of 458.32 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
PubChem CID22299913
Molecular FormulaC17H19IN2O3S
Molecular Weight458.32 g/mol
Exact Mass458.02
IUPAC Name2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
SMILESCc1ccc(CS(=O)(=O)NCC(=O)Nc2ccc(I)cc2)c(C)c1
InChIInChI=1S/C17H19IN2O3S/c1-12-3-4-14(13(2)9-12)11-24(22,23)19-10-17(21)20-16-7-5-15(18)6-8-16/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyCMQSBNILCXTJNR-UHFFFAOYSA-N
XLogP2.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 22299911
2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide
CID 22299930
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
2-[(4-chlorophenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 22300462
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752
2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide
CID 22300235
N-(4-iodophenyl)-2-methylsulfonylacetamide
CID 47207302
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
CID 1361630
N-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110370513
2-[(2,5-dimethylphenyl)methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 22300215
N-[4-(dimethylamino)phenyl]-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 110407276
2-[(4-fluorophenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 126134237

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide (CID 22299913) is 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide is Cc1ccc(CS(=O)(=O)NCC(=O)Nc2ccc(I)cc2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The InChIKey is CMQSBNILCXTJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O3S/c1-12-3-4-14(13(2)9-12)11-24(22,23)19-10-17(21)20-16-7-5-15(18)6-8-16/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide?
2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide has a molecular weight of 458.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 22299913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).