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

C22H19N3O5S — CID 71800592

IUPAC3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C22H19N3O5S/c26-20(12-14-31(27,28)17-8-2-1-3-9-17)23-18-10-5-4-7-16(18)15-21-24-22(25-30-21)19-11-6-13-29-19/h1-11,13H,12,14-15H2,(H,23,26)
InChIKeyGENCZEXRIXYQTP-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.72
Rot. Bonds8

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

3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide (PubChem CID 71800592) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide
PubChem CID71800592
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C22H19N3O5S/c26-20(12-14-31(27,28)17-8-2-1-3-9-17)23-18-10-5-4-7-16(18)15-21-24-22(25-30-21)19-11-6-13-29-19/h1-11,13H,12,14-15H2,(H,23,26)
InChIKeyGENCZEXRIXYQTP-UHFFFAOYSA-N
XLogP3.72
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide (CID 71800592) is 3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1Cc1nc(-c2ccco2)no1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide?
The InChIKey is GENCZEXRIXYQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c26-20(12-14-31(27,28)17-8-2-1-3-9-17)23-18-10-5-4-7-16(18)15-21-24-22(25-30-21)19-11-6-13-29-19/h1-11,13H,12,14-15H2,(H,23,26).
What are the key properties of 3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide?
3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide has a molecular weight of 437.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propanamide is sourced from PubChem (CID 71800592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).