N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide

C12H24N2O6S — CID 59783181

IUPACN-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide
SMILESCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOC
InChIInChI=1S/C12H24N2O6S/c1-3-11(15)14-21(17,18)10-4-5-12(16)13-6-7-20-9-8-19-2/h3-10H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyWCIAXPAHTNXYKI-UHFFFAOYSA-N
MW324.40 g/mol
LogP-0.60
Rot. Bonds12

About N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide

N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide (PubChem CID 59783181) has the molecular formula C12H24N2O6S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide
PubChem CID59783181
Molecular FormulaC12H24N2O6S
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide
SMILESCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOC
InChIInChI=1S/C12H24N2O6S/c1-3-11(15)14-21(17,18)10-4-5-12(16)13-6-7-20-9-8-19-2/h3-10H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyWCIAXPAHTNXYKI-UHFFFAOYSA-N
XLogP-0.60
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(acetylsulfamoyl)-N-ethylbutanamide
CID 138964116
1-[2-[2-(2-Aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714856
3-(propanoylsulfamoyl)-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 57740859
3-(methylsulfamoyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
CID 57740861
3-(methylsulfamoyl)-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide
CID 57740866
N-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]ethyl]-3-(propanoylsulfamoyl)propanamide
CID 57740897
N-[2-(2-ethoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide
CID 57740904
3-[2-[2-(2-Acetamidoethoxy)ethoxy]ethyl-(3-sulfonatopropyl)amino]propane-1-sulfonate
CID 58570127
3-[2-[2-(2-Acetamidoethoxy)ethoxy]ethyl-(3-sulfopropyl)amino]propane-1-sulfonic acid
CID 58570128
3-[2-(2-Acetamidoethoxy)ethoxy]propane-1-sulfonic acid
CID 58570149
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-methylsulfonylsulfanylbutanamide
CID 59711536
N-[3-[2-[2-[3-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-methylsulfonylsulfanylbutanamide
CID 59711538

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide (CID 59783181) is N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide is CCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOC.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide?
The InChIKey is WCIAXPAHTNXYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6S/c1-3-11(15)14-21(17,18)10-4-5-12(16)13-6-7-20-9-8-19-2/h3-10H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide?
N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide has a molecular weight of 324.40 g/mol, XLogP of -0.60, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-4-(propanoylsulfamoyl)butanamide is sourced from PubChem (CID 59783181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).