2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide

C17H19IN2O5S — CID 22299911

IUPAC2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
SMILESCOc1ccc(OC)c(CS(=O)(=O)NCC(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C17H19IN2O5S/c1-24-15-7-8-16(25-2)12(9-15)11-26(22,23)19-10-17(21)20-14-5-3-13(18)4-6-14/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyJBIRKXDGVGNIJM-UHFFFAOYSA-N
MW490.32 g/mol
LogP2.37
Rot. Bonds8

About 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide

2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide (PubChem CID 22299911) has the molecular formula C17H19IN2O5S and a molecular weight of 490.32 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
PubChem CID22299911
Molecular FormulaC17H19IN2O5S
Molecular Weight490.32 g/mol
Exact Mass490.01
IUPAC Name2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
SMILESCOc1ccc(OC)c(CS(=O)(=O)NCC(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C17H19IN2O5S/c1-24-15-7-8-16(25-2)12(9-15)11-26(22,23)19-10-17(21)20-14-5-3-13(18)4-6-14/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyJBIRKXDGVGNIJM-UHFFFAOYSA-N
XLogP2.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide
CID 22300235
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407286
N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 161186563
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
2-(1,3-benzodioxol-5-ylmethylsulfonylamino)-N-(4-methoxyphenyl)acetamide
CID 22300192
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814052
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291
N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]prop-2-enamide
CID 161186562

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide (CID 22299911) is 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide is COc1ccc(OC)c(CS(=O)(=O)NCC(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide?
The InChIKey is JBIRKXDGVGNIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O5S/c1-24-15-7-8-16(25-2)12(9-15)11-26(22,23)19-10-17(21)20-14-5-3-13(18)4-6-14/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide?
2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide has a molecular weight of 490.32 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 22299911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).