methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate

C15H23NO5S — CID 2814176

IUPACmethyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H23NO5S/c1-10-13(15(17)20-4)14(11(2)21-10)22(18,19)16(3)12-8-6-5-7-9-12/h12H,5-9H2,1-4H3
InChIKeyBEJXLDDQXVJBPY-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.64
Rot. Bonds4

About methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate

methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 2814176) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID2814176
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Namemethyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H23NO5S/c1-10-13(15(17)20-4)14(11(2)21-10)22(18,19)16(3)12-8-6-5-7-9-12/h12H,5-9H2,1-4H3
InChIKeyBEJXLDDQXVJBPY-UHFFFAOYSA-N
XLogP2.64
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate 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 methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate (CID 2814176) is methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is BEJXLDDQXVJBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-10-13(15(17)20-4)14(11(2)21-10)22(18,19)16(3)12-8-6-5-7-9-12/h12H,5-9H2,1-4H3.
What are the key properties of methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 329.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclohexyl(methyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2814176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).