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

C12H17N3O4S — CID 53175749

IUPACN-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(-c2nnc(C)o2)co1
InChIInChI=1S/C12H17N3O4S/c1-4-5-6-15(3)20(16,17)11-7-10(8-18-11)12-14-13-9(2)19-12/h7-8H,4-6H2,1-3H3
InChIKeyNOSPHPQIKMKJRW-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.06
Rot. Bonds6

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

N-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide (PubChem CID 53175749) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
PubChem CID53175749
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(-c2nnc(C)o2)co1
InChIInChI=1S/C12H17N3O4S/c1-4-5-6-15(3)20(16,17)11-7-10(8-18-11)12-14-13-9(2)19-12/h7-8H,4-6H2,1-3H3
InChIKeyNOSPHPQIKMKJRW-UHFFFAOYSA-N
XLogP2.06
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
The IUPAC name of N-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide (CID 53175749) is N-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide.
What is the SMILES notation for N-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
The canonical SMILES for N-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide is CCCCN(C)S(=O)(=O)c1cc(-c2nnc(C)o2)co1.
What is the InChIKey of N-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
The InChIKey is NOSPHPQIKMKJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-4-5-6-15(3)20(16,17)11-7-10(8-18-11)12-14-13-9(2)19-12/h7-8H,4-6H2,1-3H3.
What are the key properties of N-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
N-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide has a molecular weight of 299.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide is sourced from PubChem (CID 53175749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).