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

C15H13N3O5S — CID 7189767

IUPAC3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C15H13N3O5S/c19-13(8-10-24(20,21)11-5-2-1-3-6-11)16-15-18-17-14(23-15)12-7-4-9-22-12/h1-7,9H,8,10H2,(H,16,18,19)
InChIKeyKRNJNNWUYGYJBN-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.13
Rot. Bonds6

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

3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 7189767) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID7189767
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC Name3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C15H13N3O5S/c19-13(8-10-24(20,21)11-5-2-1-3-6-11)16-15-18-17-14(23-15)12-7-4-9-22-12/h1-7,9H,8,10H2,(H,16,18,19)
InChIKeyKRNJNNWUYGYJBN-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 7189767) is 3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccco2)o1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is KRNJNNWUYGYJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c19-13(8-10-24(20,21)11-5-2-1-3-6-11)16-15-18-17-14(23-15)12-7-4-9-22-12/h1-7,9H,8,10H2,(H,16,18,19).
What are the key properties of 3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 347.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 7189767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).