2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide

C12H23N3O5S — CID 104568992

IUPAC2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1CCOCCOCCOC
InChIInChI=1S/C12H23N3O5S/c1-3-11-14-12(21(13,16)17)10-15(11)4-5-19-8-9-20-7-6-18-2/h10H,3-9H2,1-2H3,(H2,13,16,17)
InChIKeyMBXWGRXGZKXERE-UHFFFAOYSA-N
MW321.40 g/mol
LogP-0.23
Rot. Bonds11

About 2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide

2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide (PubChem CID 104568992) has the molecular formula C12H23N3O5S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide
PubChem CID104568992
Molecular FormulaC12H23N3O5S
Molecular Weight321.40 g/mol
Exact Mass321.14
IUPAC Name2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1CCOCCOCCOC
InChIInChI=1S/C12H23N3O5S/c1-3-11-14-12(21(13,16)17)10-15(11)4-5-19-8-9-20-7-6-18-2/h10H,3-9H2,1-2H3,(H2,13,16,17)
InChIKeyMBXWGRXGZKXERE-UHFFFAOYSA-N
XLogP-0.23
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide?
The IUPAC name of 2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide (CID 104568992) is 2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide is CCc1nc(S(N)(=O)=O)cn1CCOCCOCCOC.
What is the InChIKey of 2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide?
The InChIKey is MBXWGRXGZKXERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5S/c1-3-11-14-12(21(13,16)17)10-15(11)4-5-19-8-9-20-7-6-18-2/h10H,3-9H2,1-2H3,(H2,13,16,17).
What are the key properties of 2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide?
2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide has a molecular weight of 321.40 g/mol, XLogP of -0.23, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 104568992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).