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

C14H22N2O4S — CID 30128546

IUPACN,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-5-16(6-2)14(17)11-20-13-9-7-12(8-10-13)15(3)21(4,18)19/h7-10H,5-6,11H2,1-4H3
InChIKeyQLUFPOBSEWALDS-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.33
Rot. Bonds7

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

N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (PubChem CID 30128546) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
PubChem CID30128546
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-5-16(6-2)14(17)11-20-13-9-7-12(8-10-13)15(3)21(4,18)19/h7-10H,5-6,11H2,1-4H3
InChIKeyQLUFPOBSEWALDS-UHFFFAOYSA-N
XLogP1.33
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide
CID 7643378
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
CID 30128294
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide
CID 94140265
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide
CID 82362951
N,N-diethyl-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375378
N-ethyl-N-(2-methylprop-2-enyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790698
N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128438
N,N-diethyl-2-[4-(ethylaminomethyl)phenoxy]acetamide
CID 43276989
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 171317631

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (CID 30128546) is N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is CCN(CC)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is QLUFPOBSEWALDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-16(6-2)14(17)11-20-13-9-7-12(8-10-13)15(3)21(4,18)19/h7-10H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 30128546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).