2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide

C14H20N4O4S — CID 71873007

IUPAC2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide
SMILESCc1noc(CCCNS(=O)(=O)N2CCCC2c2ccco2)n1
InChIInChI=1S/C14H20N4O4S/c1-11-16-14(22-17-11)7-2-8-15-23(19,20)18-9-3-5-12(18)13-6-4-10-21-13/h4,6,10,12,15H,2-3,5,7-9H2,1H3
InChIKeyJALUWJATOSRAIB-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.58
Rot. Bonds7

About 2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide

2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide (PubChem CID 71873007) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide
PubChem CID71873007
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide
SMILESCc1noc(CCCNS(=O)(=O)N2CCCC2c2ccco2)n1
InChIInChI=1S/C14H20N4O4S/c1-11-16-14(22-17-11)7-2-8-15-23(19,20)18-9-3-5-12(18)13-6-4-10-21-13/h4,6,10,12,15H,2-3,5,7-9H2,1H3
InChIKeyJALUWJATOSRAIB-UHFFFAOYSA-N
XLogP1.58
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide (CID 71873007) is 2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide is Cc1noc(CCCNS(=O)(=O)N2CCCC2c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide?
The InChIKey is JALUWJATOSRAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-11-16-14(22-17-11)7-2-8-15-23(19,20)18-9-3-5-12(18)13-6-4-10-21-13/h4,6,10,12,15H,2-3,5,7-9H2,1H3.
What are the key properties of 2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide?
2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide has a molecular weight of 340.41 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 71873007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).