2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide

C13H28N2O5S — CID 170042417

IUPAC2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide
SMILESCCNCCOCC(=O)N(C)CCOCCS(=O)(=O)CC
InChIInChI=1S/C13H28N2O5S/c1-4-14-6-8-20-12-13(16)15(3)7-9-19-10-11-21(17,18)5-2/h14H,4-12H2,1-3H3
InChIKeyQTUKWPSIWJGMRK-UHFFFAOYSA-N
MW324.44 g/mol
LogP-0.48
Rot. Bonds13

About 2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide

2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide (PubChem CID 170042417) has the molecular formula C13H28N2O5S and a molecular weight of 324.44 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide
PubChem CID170042417
Molecular FormulaC13H28N2O5S
Molecular Weight324.44 g/mol
Exact Mass324.17
IUPAC Name2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide
SMILESCCNCCOCC(=O)N(C)CCOCCS(=O)(=O)CC
InChIInChI=1S/C13H28N2O5S/c1-4-14-6-8-20-12-13(16)15(3)7-9-19-10-11-21(17,18)5-2/h14H,4-12H2,1-3H3
InChIKeyQTUKWPSIWJGMRK-UHFFFAOYSA-N
XLogP-0.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide (CID 170042417) is 2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide is CCNCCOCC(=O)N(C)CCOCCS(=O)(=O)CC.
What is the InChIKey of 2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide?
The InChIKey is QTUKWPSIWJGMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O5S/c1-4-14-6-8-20-12-13(16)15(3)7-9-19-10-11-21(17,18)5-2/h14H,4-12H2,1-3H3.
What are the key properties of 2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide?
2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide has a molecular weight of 324.44 g/mol, XLogP of -0.48, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethoxy]-N-[2-(2-ethylsulfonylethoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 170042417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).