N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide

C11H24N2O5S — CID 159189227

IUPACN-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide
SMILESCC(=O)N(C)CCS(C)(=O)=O.COCCNC(C)=O
InChIInChI=1S/C6H13NO3S.C5H11NO2/c1-6(8)7(2)4-5-11(3,9)10;1-5(7)6-3-4-8-2/h4-5H2,1-3H3;3-4H2,1-2H3,(H,6,7)
InChIKeyKNWKBUUDPZTOJW-UHFFFAOYSA-N
MW296.39 g/mol
LogP-0.72
Rot. Bonds6

About N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide

N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide (PubChem CID 159189227) has the molecular formula C11H24N2O5S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide
PubChem CID159189227
Molecular FormulaC11H24N2O5S
Molecular Weight296.39 g/mol
Exact Mass296.14
IUPAC NameN-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide
SMILESCC(=O)N(C)CCS(C)(=O)=O.COCCNC(C)=O
InChIInChI=1S/C6H13NO3S.C5H11NO2/c1-6(8)7(2)4-5-11(3,9)10;1-5(7)6-3-4-8-2/h4-5H2,1-3H3;3-4H2,1-2H3,(H,6,7)
InChIKeyKNWKBUUDPZTOJW-UHFFFAOYSA-N
XLogP-0.72
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-Acetamidoethoxy)ethoxy]ethyl-(3-sulfonatopropyl)amino]propane-1-sulfonate
CID 58570127
N-[2-(2-ethenylsulfonylethoxy)ethyl]acetamide
CID 58907722
2-(2-Acetamidoethoxy)ethanesulfonate
CID 59247715
N-[2-[formyl(2-methylsulfonylethyl)amino]ethyl]acetamide
CID 88882188
N-[2-(2-acetamidoethylsulfonyl)ethyl]acetamide
CID 123820811
N-(2-methoxyethyl)acetamide;N-[2-(methylamino)ethyl]acetamide;N-(2-methylsulfonylethyl)acetamide;propane
CID 142083460
N-ethylacetamide;N-(2-methoxyethyl)acetamide;methylsulfonylmethane
CID 142083509
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide
CID 155189257
N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide
CID 155455154
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]acetamide
CID 155455170
N-[2-(dimethylamino)ethyl]-N-methylacetamide;N-(2-methoxyethyl)-N-methylacetamide;N-methyl-N-[2-(methylamino)ethyl]acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide
CID 158534614
4,4-Dioxo-1-oxa-4lambda6,7-dithia-10-azacyclododecan-11-one;methane
CID 161897496

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide (CID 159189227) is N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide is CC(=O)N(C)CCS(C)(=O)=O.COCCNC(C)=O.
What is the InChIKey of N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is KNWKBUUDPZTOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.C5H11NO2/c1-6(8)7(2)4-5-11(3,9)10;1-5(7)6-3-4-8-2/h4-5H2,1-3H3;3-4H2,1-2H3,(H,6,7).
What are the key properties of N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide?
N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 296.39 g/mol, XLogP of -0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 159189227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).