N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide

C11H19NO5S — CID 114132079

IUPACN-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1c(C)oc(C)c1CO
InChIInChI=1S/C11H19NO5S/c1-4-16-6-5-12-18(14,15)11-9(3)17-8(2)10(11)7-13/h12-13H,4-7H2,1-3H3
InChIKeyJJZPEOMBWRWZNJ-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.70
Rot. Bonds7

About N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide

N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide (PubChem CID 114132079) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
PubChem CID114132079
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC NameN-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1c(C)oc(C)c1CO
InChIInChI=1S/C11H19NO5S/c1-4-16-6-5-12-18(14,15)11-9(3)17-8(2)10(11)7-13/h12-13H,4-7H2,1-3H3
InChIKeyJJZPEOMBWRWZNJ-UHFFFAOYSA-N
XLogP0.70
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide
CID 115522681
N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
CID 103465907
4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433633
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396
4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide
CID 106074131
N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466
4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide
CID 106001600
N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 114132067
4-(2-but-3-enoxyethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 106395343
2,5-dimethyl-4-(3-propoxypropylsulfamoyl)furan-3-carboxylic acid
CID 82941535
4-(aminomethyl)-2,5-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]furan-3-sulfonamide
CID 106055578
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide (CID 114132079) is N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide is CCOCCNS(=O)(=O)c1c(C)oc(C)c1CO.
What is the InChIKey of N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is JJZPEOMBWRWZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-4-16-6-5-12-18(14,15)11-9(3)17-8(2)10(11)7-13/h12-13H,4-7H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide?
N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 277.34 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 114132079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).