2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide

C12H17NO4S — CID 86782474

IUPAC2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide
SMILESCc1cc(S(=O)(=O)NC(=O)CC2CCC2)c(C)o1
InChIInChI=1S/C12H17NO4S/c1-8-6-11(9(2)17-8)18(15,16)13-12(14)7-10-4-3-5-10/h6,10H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyQNMWZQMPUIZBGM-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.89
Rot. Bonds4

About 2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide

2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide (PubChem CID 86782474) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide
PubChem CID86782474
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide
SMILESCc1cc(S(=O)(=O)NC(=O)CC2CCC2)c(C)o1
InChIInChI=1S/C12H17NO4S/c1-8-6-11(9(2)17-8)18(15,16)13-12(14)7-10-4-3-5-10/h6,10H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyQNMWZQMPUIZBGM-UHFFFAOYSA-N
XLogP1.89
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide?
The IUPAC name of 2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide (CID 86782474) is 2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide.
What is the SMILES notation for 2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide?
The canonical SMILES for 2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide is Cc1cc(S(=O)(=O)NC(=O)CC2CCC2)c(C)o1.
What is the InChIKey of 2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide?
The InChIKey is QNMWZQMPUIZBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-8-6-11(9(2)17-8)18(15,16)13-12(14)7-10-4-3-5-10/h6,10H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of 2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide?
2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide has a molecular weight of 271.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(2,5-dimethylfuran-3-yl)sulfonylacetamide is sourced from PubChem (CID 86782474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).