N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

C16H16Cl2N2O4S — CID 30128451

IUPACN-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16Cl2N2O4S/c1-20(25(2,22)23)11-6-8-12(9-7-11)24-10-15(21)19-14-5-3-4-13(17)16(14)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyCSBBHBWUXLLVMG-UHFFFAOYSA-N
MW403.29 g/mol
LogP3.41
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (PubChem CID 30128451) has the molecular formula C16H16Cl2N2O4S and a molecular weight of 403.29 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
PubChem CID30128451
Molecular FormulaC16H16Cl2N2O4S
Molecular Weight403.29 g/mol
Exact Mass402.02
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCN(c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16Cl2N2O4S/c1-20(25(2,22)23)11-6-8-12(9-7-11)24-10-15(21)19-14-5-3-4-13(17)16(14)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyCSBBHBWUXLLVMG-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2,3-dichlorophenyl)acetamide
CID 17247035
N-(2,3-dichlorophenyl)-2-(4-iodophenoxy)acetamide
CID 55325965
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128438
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
CID 30128386
N-(2,3-dichlorophenyl)-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732993
N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130762
N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
CID 18870437
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100586436
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128483
N-(2,3-dichlorophenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152019
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
CID 30128294

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (CID 30128451) is N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is CN(c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is CSBBHBWUXLLVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4S/c1-20(25(2,22)23)11-6-8-12(9-7-11)24-10-15(21)19-14-5-3-4-13(17)16(14)18/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 403.29 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 30128451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).