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

C24H22N4O4S — CID 50823040

IUPACN-[4-[[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)no2)cc1
InChIInChI=1S/C24H22N4O4S/c1-16-3-13-22(14-4-16)33(30,31)28-21-11-7-19(8-12-21)24-26-23(32-27-24)15-18-5-9-20(10-6-18)25-17(2)29/h3-14,28H,15H2,1-2H3,(H,25,29)
InChIKeyNQCNFOJBMXVKOC-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.40
Rot. Bonds7

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

N-[4-[[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (PubChem CID 50823040) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-[[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
PubChem CID50823040
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[4-[[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)no2)cc1
InChIInChI=1S/C24H22N4O4S/c1-16-3-13-22(14-4-16)33(30,31)28-21-11-7-19(8-12-21)24-26-23(32-27-24)15-18-5-9-20(10-6-18)25-17(2)29/h3-14,28H,15H2,1-2H3,(H,25,29)
InChIKeyNQCNFOJBMXVKOC-UHFFFAOYSA-N
XLogP4.40
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.40
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-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide (CID 50823040) is N-[4-[[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)no2)cc1.
What is the InChIKey of N-[4-[[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
The InChIKey is NQCNFOJBMXVKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-16-3-13-22(14-4-16)33(30,31)28-21-11-7-19(8-12-21)24-26-23(32-27-24)15-18-5-9-20(10-6-18)25-17(2)29/h3-14,28H,15H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide?
N-[4-[[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide has a molecular weight of 462.53 g/mol, XLogP of 4.40, 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-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 50823040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).