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

C13H19N3O4S — CID 53175746

IUPACN-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1cc(-c2nnc(C)o2)co1
InChIInChI=1S/C13H19N3O4S/c1-4-6-7-16(5-2)21(17,18)12-8-11(9-19-12)13-15-14-10(3)20-13/h8-9H,4-7H2,1-3H3
InChIKeyURRQVYWHJIUKHU-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.45
Rot. Bonds7

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

N-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide (PubChem CID 53175746) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
PubChem CID53175746
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1cc(-c2nnc(C)o2)co1
InChIInChI=1S/C13H19N3O4S/c1-4-6-7-16(5-2)21(17,18)12-8-11(9-19-12)13-15-14-10(3)20-13/h8-9H,4-7H2,1-3H3
InChIKeyURRQVYWHJIUKHU-UHFFFAOYSA-N
XLogP2.45
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
The IUPAC name of N-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide (CID 53175746) is N-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide.
What is the SMILES notation for N-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
The canonical SMILES for N-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide is CCCCN(CC)S(=O)(=O)c1cc(-c2nnc(C)o2)co1.
What is the InChIKey of N-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
The InChIKey is URRQVYWHJIUKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-4-6-7-16(5-2)21(17,18)12-8-11(9-19-12)13-15-14-10(3)20-13/h8-9H,4-7H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
N-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide is sourced from PubChem (CID 53175746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).