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

C17H20N2O4S — CID 30128386

IUPAC2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-13-5-4-6-14(11-13)18-17(20)12-23-16-9-7-15(8-10-16)19(2)24(3,21)22/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyHTNNFLDGOXQZDA-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.41
Rot. Bonds6

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

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 30128386) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID30128386
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-13-5-4-6-14(11-13)18-17(20)12-23-16-9-7-15(8-10-16)19(2)24(3,21)22/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyHTNNFLDGOXQZDA-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128438
N-(1,3-benzodioxol-5-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128509
N,4-dimethyl-N-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 23905666
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126315410
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128483
N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128451
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 63364236
3-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144896
N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 2332931

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide (CID 30128386) is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1.
What is the InChIKey of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is HTNNFLDGOXQZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-5-4-6-14(11-13)18-17(20)12-23-16-9-7-15(8-10-16)19(2)24(3,21)22/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide?
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 30128386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).