N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide

C16H17IN2O4S — CID 35986913

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2cccc(I)c2)c1
InChIInChI=1S/C16H17IN2O4S/c1-19(2)24(21,22)15-8-4-6-13(10-15)18-16(20)11-23-14-7-3-5-12(17)9-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyIHMKLMQGBRGFNR-UHFFFAOYSA-N
MW460.29 g/mol
LogP2.56
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide (PubChem CID 35986913) has the molecular formula C16H17IN2O4S and a molecular weight of 460.29 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide
PubChem CID35986913
Molecular FormulaC16H17IN2O4S
Molecular Weight460.29 g/mol
Exact Mass460.00
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2cccc(I)c2)c1
InChIInChI=1S/C16H17IN2O4S/c1-19(2)24(21,22)15-8-4-6-13(10-15)18-16(20)11-23-14-7-3-5-12(17)9-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyIHMKLMQGBRGFNR-UHFFFAOYSA-N
XLogP2.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549
2-(3-acetylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710573
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate
CID 8634998
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4884299
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7847691
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-propoxyphenoxy)acetamide
CID 8961619
2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2632951
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 7705824

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide (CID 35986913) is N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)COc2cccc(I)c2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide?
The InChIKey is IHMKLMQGBRGFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O4S/c1-19(2)24(21,22)15-8-4-6-13(10-15)18-16(20)11-23-14-7-3-5-12(17)9-14/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide has a molecular weight of 460.29 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide is sourced from PubChem (CID 35986913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).