N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide

C11H15N3O4S — CID 53175763

IUPACN-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide
SMILESCCCN(C)S(=O)(=O)c1cc(-c2nnc(C)o2)co1
InChIInChI=1S/C11H15N3O4S/c1-4-5-14(3)19(15,16)10-6-9(7-17-10)11-13-12-8(2)18-11/h6-7H,4-5H2,1-3H3
InChIKeyPGKYTQSMKMHWBS-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.67
Rot. Bonds5

About N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide

N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide (PubChem CID 53175763) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide
PubChem CID53175763
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide
SMILESCCCN(C)S(=O)(=O)c1cc(-c2nnc(C)o2)co1
InChIInChI=1S/C11H15N3O4S/c1-4-5-14(3)19(15,16)10-6-9(7-17-10)11-13-12-8(2)18-11/h6-7H,4-5H2,1-3H3
InChIKeyPGKYTQSMKMHWBS-UHFFFAOYSA-N
XLogP1.67
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide?
The IUPAC name of N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide (CID 53175763) is N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide.
What is the SMILES notation for N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide?
The canonical SMILES for N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide is CCCN(C)S(=O)(=O)c1cc(-c2nnc(C)o2)co1.
What is the InChIKey of N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide?
The InChIKey is PGKYTQSMKMHWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-4-5-14(3)19(15,16)10-6-9(7-17-10)11-13-12-8(2)18-11/h6-7H,4-5H2,1-3H3.
What are the key properties of N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide?
N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propylfuran-2-sulfonamide is sourced from PubChem (CID 53175763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).