N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

C16H17IN2O4S — CID 30128438

IUPACN-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H17IN2O4S/c1-19(24(2,21)22)14-7-9-15(10-8-14)23-11-16(20)18-13-5-3-12(17)4-6-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyBFVQCJSZUXARRA-UHFFFAOYSA-N
MW460.29 g/mol
LogP2.70
Rot. Bonds6

About N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (PubChem CID 30128438) has the molecular formula C16H17IN2O4S and a molecular weight of 460.29 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
PubChem CID30128438
Molecular FormulaC16H17IN2O4S
Molecular Weight460.29 g/mol
Exact Mass460.00
IUPAC NameN-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H17IN2O4S/c1-19(24(2,21)22)14-7-9-15(10-8-14)23-11-16(20)18-13-5-3-12(17)4-6-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyBFVQCJSZUXARRA-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 94140245
N-(1,3-benzodioxol-5-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128509
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
CID 30128386
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128483
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128451
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
CID 30128294
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide
CID 94140265
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
CID 9076385
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (CID 30128438) is N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is CN(c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is BFVQCJSZUXARRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O4S/c1-19(24(2,21)22)14-7-9-15(10-8-14)23-11-16(20)18-13-5-3-12(17)4-6-13/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 460.29 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 30128438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).