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

C14H20N4O4S — CID 71873038

IUPAC2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide
SMILESCc1noc(CCNS(=O)(=O)N2CCCC2c2ccc(C)o2)n1
InChIInChI=1S/C14H20N4O4S/c1-10-5-6-13(21-10)12-4-3-9-18(12)23(19,20)15-8-7-14-16-11(2)17-22-14/h5-6,12,15H,3-4,7-9H2,1-2H3
InChIKeyIZKCRNFGFHCKOF-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.49
Rot. Bonds6

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

2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 71873038) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide
PubChem CID71873038
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide
SMILESCc1noc(CCNS(=O)(=O)N2CCCC2c2ccc(C)o2)n1
InChIInChI=1S/C14H20N4O4S/c1-10-5-6-13(21-10)12-4-3-9-18(12)23(19,20)15-8-7-14-16-11(2)17-22-14/h5-6,12,15H,3-4,7-9H2,1-2H3
InChIKeyIZKCRNFGFHCKOF-UHFFFAOYSA-N
XLogP1.49
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide (CID 71873038) is 2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide is Cc1noc(CCNS(=O)(=O)N2CCCC2c2ccc(C)o2)n1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is IZKCRNFGFHCKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-10-5-6-13(21-10)12-4-3-9-18(12)23(19,20)15-8-7-14-16-11(2)17-22-14/h5-6,12,15H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide?
2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 340.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 71873038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).