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

C13H20N2O4S — CID 100786993

IUPACN-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCOCCNC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-15(20(3,17)18)12-6-4-11(5-7-12)10-13(16)14-8-9-19-2/h4-7H,8-10H2,1-3H3,(H,14,16)
InChIKeyZELFMIZVWHKFOI-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.39
Rot. Bonds7

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

N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 100786993) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID100786993
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCOCCNC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-15(20(3,17)18)12-6-4-11(5-7-12)10-13(16)14-8-9-19-2/h4-7H,8-10H2,1-3H3,(H,14,16)
InChIKeyZELFMIZVWHKFOI-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide
CID 100787251
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786990
N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786982
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786931
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyethyl)acetamide
CID 30257475
N-(2-methoxyethyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78814646
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 100787274
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
CID 30128294
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787095

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 100786993) is N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide is COCCNC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is ZELFMIZVWHKFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-15(20(3,17)18)12-6-4-11(5-7-12)10-13(16)14-8-9-19-2/h4-7H,8-10H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 100786993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).