2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide

C13H20N2O4S — CID 113149314

IUPAC2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-11-4-6-12(7-5-11)14-13(16)10-15(8-9-19-2)20(3,17)18/h4-7H,8-10H2,1-3H3,(H,14,16)
InChIKeyCTHOSVVGWXJCES-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.84
Rot. Bonds7

About 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide

2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 113149314) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID113149314
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-11-4-6-12(7-5-11)14-13(16)10-15(8-9-19-2)20(3,17)18/h4-7H,8-10H2,1-3H3,(H,14,16)
InChIKeyCTHOSVVGWXJCES-UHFFFAOYSA-N
XLogP0.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149534
N-[4-(dimethylamino)phenyl]-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149554
N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149503
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113149351
methyl 3-[[2-[2-methoxyethyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113149369
2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-(2-methoxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 3213071
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113149350
N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149526
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113149557
N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147567
N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147556
N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149884

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide (CID 113149314) is 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide is COCCN(CC(=O)Nc1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is CTHOSVVGWXJCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-11-4-6-12(7-5-11)14-13(16)10-15(8-9-19-2)20(3,17)18/h4-7H,8-10H2,1-3H3,(H,14,16).
What are the key properties of 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide?
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 113149314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).