N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane

C16H44N2O7S — CID 158959549

IUPACN-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane
SMILESC.C.C.CCNC(C)=O.CCOOCC.CCOOCN(C)S(C)(=O)=O
InChIInChI=1S/C5H13NO4S.C4H9NO.C4H10O2.3CH4/c1-4-9-10-5-6(2)11(3,7)8;1-3-5-4(2)6;1-3-5-6-4-2;;;/h4-5H2,1-3H3;3H2,1-2H3,(H,5,6);3-4H2,1-2H3;3*1H4
InChIKeyJMLCASSFERZPII-UHFFFAOYSA-N
MW408.60 g/mol
LogP2.83
Rot. Bonds9

About N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane

N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane (PubChem CID 158959549) has the molecular formula C16H44N2O7S and a molecular weight of 408.60 g/mol. Its IUPAC name is N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane.

Molecular Properties

Compound NameN-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane
PubChem CID158959549
Molecular FormulaC16H44N2O7S
Molecular Weight408.60 g/mol
Exact Mass408.29
IUPAC NameN-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane
SMILESC.C.C.CCNC(C)=O.CCOOCC.CCOOCN(C)S(C)(=O)=O
InChIInChI=1S/C5H13NO4S.C4H9NO.C4H10O2.3CH4/c1-4-9-10-5-6(2)11(3,7)8;1-3-5-4(2)6;1-3-5-6-4-2;;;/h4-5H2,1-3H3;3H2,1-2H3,(H,5,6);3-4H2,1-2H3;3*1H4
InChIKeyJMLCASSFERZPII-UHFFFAOYSA-N
XLogP2.83
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.60
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane?
The IUPAC name of N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane (CID 158959549) is N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane.
What is the SMILES notation for N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane?
The canonical SMILES for N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane is C.C.C.CCNC(C)=O.CCOOCC.CCOOCN(C)S(C)(=O)=O.
What is the InChIKey of N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane?
The InChIKey is JMLCASSFERZPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S.C4H9NO.C4H10O2.3CH4/c1-4-9-10-5-6(2)11(3,7)8;1-3-5-4(2)6;1-3-5-6-4-2;;;/h4-5H2,1-3H3;3H2,1-2H3,(H,5,6);3-4H2,1-2H3;3*1H4.
What are the key properties of N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane?
N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane has a molecular weight of 408.60 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylacetamide;ethylperoxyethane;N-(ethylperoxymethyl)-N-methylmethanesulfonamide;methane is sourced from PubChem (CID 158959549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).