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

C23H20N4O4S — CID 50823096

IUPACN-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)no2)cc1
InChIInChI=1S/C23H20N4O4S/c1-16(28)24-19-11-7-17(8-12-19)15-22-25-23(26-31-22)18-9-13-20(14-10-18)27-32(29,30)21-5-3-2-4-6-21/h2-14,27H,15H2,1H3,(H,24,28)
InChIKeyWOZXLECVOJFXOU-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.09
Rot. Bonds7

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

N-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (PubChem CID 50823096) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
PubChem CID50823096
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC NameN-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)no2)cc1
InChIInChI=1S/C23H20N4O4S/c1-16(28)24-19-11-7-17(8-12-19)15-22-25-23(26-31-22)18-9-13-20(14-10-18)27-32(29,30)21-5-3-2-4-6-21/h2-14,27H,15H2,1H3,(H,24,28)
InChIKeyWOZXLECVOJFXOU-UHFFFAOYSA-N
XLogP4.09
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (CID 50823096) is N-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)no2)cc1.
What is the InChIKey of N-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The InChIKey is WOZXLECVOJFXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-16(28)24-19-11-7-17(8-12-19)15-22-25-23(26-31-22)18-9-13-20(14-10-18)27-32(29,30)21-5-3-2-4-6-21/h2-14,27H,15H2,1H3,(H,24,28).
What are the key properties of N-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
N-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide has a molecular weight of 448.50 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[4-(benzenesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 50823096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).