furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

C17H19NO5S — CID 2975271

IUPACfuran-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)OCc2ccco2)cc1
InChIInChI=1S/C17H19NO5S/c1-13-6-8-15(9-7-13)24(20,21)18-10-2-5-16(18)17(19)23-12-14-4-3-11-22-14/h3-4,6-9,11,16H,2,5,10,12H2,1H3
InChIKeyKUPVVXVYGAGKNR-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.48
Rot. Bonds5

About furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 2975271) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namefuran-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
PubChem CID2975271
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namefuran-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)OCc2ccco2)cc1
InChIInChI=1S/C17H19NO5S/c1-13-6-8-15(9-7-13)24(20,21)18-10-2-5-16(18)17(19)23-12-14-4-3-11-22-14/h3-4,6-9,11,16H,2,5,10,12H2,1H3
InChIKeyKUPVVXVYGAGKNR-UHFFFAOYSA-N
XLogP2.48
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-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 furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate (CID 2975271) is furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OCc2ccco2)cc1.
What is the InChIKey of furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is KUPVVXVYGAGKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-13-6-8-15(9-7-13)24(20,21)18-10-2-5-16(18)17(19)23-12-14-4-3-11-22-14/h3-4,6-9,11,16H,2,5,10,12H2,1H3.
What are the key properties of furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate?
furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 2975271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).