2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide

C20H26N2O4S — CID 21173330

IUPAC2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H26N2O4S/c1-14-10-15(2)20(16(3)11-14)21-19(23)13-26-18-8-6-17(7-9-18)12-22(4)27(5,24)25/h6-11H,12-13H2,1-5H3,(H,21,23)
InChIKeyCWQBNHPNYUQMSD-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.02
Rot. Bonds7

About 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 21173330) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID21173330
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H26N2O4S/c1-14-10-15(2)20(16(3)11-14)21-19(23)13-26-18-8-6-17(7-9-18)12-22(4)27(5,24)25/h6-11H,12-13H2,1-5H3,(H,21,23)
InChIKeyCWQBNHPNYUQMSD-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673
N-(2,5-dichlorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide
CID 21368103
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21366819
2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30464677
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 17247458
4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
CID 7931575
2-[4-(benzylsulfamoyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126227786
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92684457
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 21368377
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 100787274
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide (CID 21173330) is 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is CWQBNHPNYUQMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14-10-15(2)20(16(3)11-14)21-19(23)13-26-18-8-6-17(7-9-18)12-22(4)27(5,24)25/h6-11H,12-13H2,1-5H3,(H,21,23).
What are the key properties of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.02, 7 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]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 21173330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).