2-ethoxy-N-(3-methylsulfonylpropyl)acetamide

C8H17NO4S — CID 61381752

IUPAC2-ethoxy-N-(3-methylsulfonylpropyl)acetamide
SMILESCCOCC(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-3-13-7-8(10)9-5-4-6-14(2,11)12/h3-7H2,1-2H3,(H,9,10)
InChIKeyXEBJVKQUQLQRHO-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.43
Rot. Bonds7

About 2-ethoxy-N-(3-methylsulfonylpropyl)acetamide

2-ethoxy-N-(3-methylsulfonylpropyl)acetamide (PubChem CID 61381752) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-ethoxy-N-(3-methylsulfonylpropyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-methylsulfonylpropyl)acetamide
PubChem CID61381752
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-ethoxy-N-(3-methylsulfonylpropyl)acetamide
SMILESCCOCC(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-3-13-7-8(10)9-5-4-6-14(2,11)12/h3-7H2,1-2H3,(H,9,10)
InChIKeyXEBJVKQUQLQRHO-UHFFFAOYSA-N
XLogP-0.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide
CID 126830091
3-ethenylsulfonyl-2-[3-ethenylsulfonyl-1-oxo-1-(propylamino)propan-2-yl]oxy-N-propylpropanamide
CID 20316535
4,4-Dioxo-1-oxa-4lambda6,7-dithia-10-azacyclododecan-11-one
CID 60095535
2-Propan-2-ylsulfonylmorpholin-3-one
CID 70183122
2-[(2-Ethoxyacetyl)amino]ethanesulfonic acid
CID 88968468
3-[[2-(2-Ethoxyethoxy)acetyl]amino]propyl-dimethyl-(3-methylsulfonylpropyl)azanium
CID 148468398
N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide
CID 151012070
3-[3-[[2-(2-Ethoxyethoxy)acetyl]amino]propyl-dimethylazaniumyl]propane-1-sulfonate
CID 153279828
3-methylsulfanyl-N-[2-(2-oxopropoxy)ethyl]propanamide
CID 154603763
N-[2-(2-tert-butylsulfonylethoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 157668021
N-(2-methoxyethyl)acetamide;N-methyl-N-(2-methylsulfonylethyl)acetamide
CID 159189227
4,4-Dioxo-1-oxa-4lambda6,7-dithia-10-azacyclododecan-11-one;methane
CID 161897496

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-methylsulfonylpropyl)acetamide?
The IUPAC name of 2-ethoxy-N-(3-methylsulfonylpropyl)acetamide (CID 61381752) is 2-ethoxy-N-(3-methylsulfonylpropyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(3-methylsulfonylpropyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(3-methylsulfonylpropyl)acetamide is CCOCC(=O)NCCCS(C)(=O)=O.
What is the InChIKey of 2-ethoxy-N-(3-methylsulfonylpropyl)acetamide?
The InChIKey is XEBJVKQUQLQRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-3-13-7-8(10)9-5-4-6-14(2,11)12/h3-7H2,1-2H3,(H,9,10).
What are the key properties of 2-ethoxy-N-(3-methylsulfonylpropyl)acetamide?
2-ethoxy-N-(3-methylsulfonylpropyl)acetamide has a molecular weight of 223.29 g/mol, XLogP of -0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-methylsulfonylpropyl)acetamide is sourced from PubChem (CID 61381752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).