3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide

C12H23NO6S — CID 163564871

IUPAC3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
SMILESCCS(=O)(=O)CCC(=O)NCCOCCOCC(C)=O
InChIInChI=1S/C12H23NO6S/c1-3-20(16,17)9-4-12(15)13-5-6-18-7-8-19-10-11(2)14/h3-10H2,1-2H3,(H,13,15)
InChIKeyMZTWZKGRILUWCU-UHFFFAOYSA-N
MW309.38 g/mol
LogP-0.45
Rot. Bonds12

About 3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide

3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide (PubChem CID 163564871) has the molecular formula C12H23NO6S and a molecular weight of 309.38 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
PubChem CID163564871
Molecular FormulaC12H23NO6S
Molecular Weight309.38 g/mol
Exact Mass309.12
IUPAC Name3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
SMILESCCS(=O)(=O)CCC(=O)NCCOCCOCC(C)=O
InChIInChI=1S/C12H23NO6S/c1-3-20(16,17)9-4-12(15)13-5-6-18-7-8-19-10-11(2)14/h3-10H2,1-2H3,(H,13,15)
InChIKeyMZTWZKGRILUWCU-UHFFFAOYSA-N
XLogP-0.45
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 5-0.45
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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Related Compounds

2-[2-(2-oxopropoxy)ethoxy]-N-[2-(2-oxopropoxy)ethyl]acetamide
CID 169276802
5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130440881
9-hydroxy-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]nonanamide;vanadium
CID 155741032
9-methoxy-N-[2-[2-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]nonanamide
CID 155405230
16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane
CID 145370854
2-(2-oxopropoxy)-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 123445865
2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide
CID 59533808
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
17-amino-17-hydrazinylidene-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]heptadecanamide
CID 123710561
2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 58214492
2-methyl-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130331562

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide?
The IUPAC name of 3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide (CID 163564871) is 3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide is CCS(=O)(=O)CCC(=O)NCCOCCOCC(C)=O.
What is the InChIKey of 3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide?
The InChIKey is MZTWZKGRILUWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO6S/c1-3-20(16,17)9-4-12(15)13-5-6-18-7-8-19-10-11(2)14/h3-10H2,1-2H3,(H,13,15).
What are the key properties of 3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide?
3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide has a molecular weight of 309.38 g/mol, XLogP of -0.45, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 163564871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).