2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide

C10H19NO3S — CID 59467874

IUPAC2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide
SMILESCCOCC(=O)NC(CSCC)C(C)=O
InChIInChI=1S/C10H19NO3S/c1-4-14-6-10(13)11-9(8(3)12)7-15-5-2/h9H,4-7H2,1-3H3,(H,11,13)
InChIKeyKSPJNPLNYMFTTF-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.85
Rot. Bonds8

About 2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide

2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide (PubChem CID 59467874) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide
PubChem CID59467874
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide
SMILESCCOCC(=O)NC(CSCC)C(C)=O
InChIInChI=1S/C10H19NO3S/c1-4-14-6-10(13)11-9(8(3)12)7-15-5-2/h9H,4-7H2,1-3H3,(H,11,13)
InChIKeyKSPJNPLNYMFTTF-UHFFFAOYSA-N
XLogP0.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide?
The IUPAC name of 2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide (CID 59467874) is 2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide?
The canonical SMILES for 2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide is CCOCC(=O)NC(CSCC)C(C)=O.
What is the InChIKey of 2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide?
The InChIKey is KSPJNPLNYMFTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-4-14-6-10(13)11-9(8(3)12)7-15-5-2/h9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide?
2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide has a molecular weight of 233.33 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-ethylsulfanyl-3-oxobutan-2-yl)acetamide is sourced from PubChem (CID 59467874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).