N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide

C17H16N4O4S — CID 54370920

IUPACN-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nc(NS(=O)(=O)c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N4O4S/c1-12(22)18-14-9-7-13(8-10-14)11-16-19-17(20-25-16)21-26(23,24)15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,18,22)(H,20,21)
InChIKeyUTDDRGYEOUBBJQ-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.42
Rot. Bonds6

About N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide

N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (PubChem CID 54370920) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
PubChem CID54370920
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nc(NS(=O)(=O)c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N4O4S/c1-12(22)18-14-9-7-13(8-10-14)11-16-19-17(20-25-16)21-26(23,24)15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,18,22)(H,20,21)
InChIKeyUTDDRGYEOUBBJQ-UHFFFAOYSA-N
XLogP2.42
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (CID 54370920) is N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2nc(NS(=O)(=O)c3ccccc3)no2)cc1.
What is the InChIKey of N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The InChIKey is UTDDRGYEOUBBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-12(22)18-14-9-7-13(8-10-14)11-16-19-17(20-25-16)21-26(23,24)15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide has a molecular weight of 372.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(benzenesulfonamido)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 54370920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).