N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

C15H13N3O5S — CID 18590027

IUPACN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccco1
InChIInChI=1S/C15H13N3O5S/c19-14(12-7-4-9-22-12)16-15-18-17-13(23-15)8-10-24(20,21)11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,16,18,19)
InChIKeyIDTUCTBBIKPECS-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.93
Rot. Bonds6

About N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (PubChem CID 18590027) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
PubChem CID18590027
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC NameN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccco1
InChIInChI=1S/C15H13N3O5S/c19-14(12-7-4-9-22-12)16-15-18-17-13(23-15)8-10-24(20,21)11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,16,18,19)
InChIKeyIDTUCTBBIKPECS-UHFFFAOYSA-N
XLogP1.93
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (CID 18590027) is N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccco1.
What is the InChIKey of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
The InChIKey is IDTUCTBBIKPECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c19-14(12-7-4-9-22-12)16-15-18-17-13(23-15)8-10-24(20,21)11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,16,18,19).
What are the key properties of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 18590027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).