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

C23H19FN4O4S — CID 50822969

IUPACN-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)no2)ccc1C
InChIInChI=1S/C23H19FN4O4S/c1-14-3-4-17(13-21(14)25-15(2)29)23-26-22(27-32-23)16-5-9-19(10-6-16)28-33(30,31)20-11-7-18(24)8-12-20/h3-13,28H,1-2H3,(H,25,29)
InChIKeyCLLLDFVAICJMAY-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.61
Rot. Bonds6

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

N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide (PubChem CID 50822969) has the molecular formula C23H19FN4O4S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide
PubChem CID50822969
Molecular FormulaC23H19FN4O4S
Molecular Weight466.49 g/mol
Exact Mass466.11
IUPAC NameN-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)no2)ccc1C
InChIInChI=1S/C23H19FN4O4S/c1-14-3-4-17(13-21(14)25-15(2)29)23-26-22(27-32-23)16-5-9-19(10-6-16)28-33(30,31)20-11-7-18(24)8-12-20/h3-13,28H,1-2H3,(H,25,29)
InChIKeyCLLLDFVAICJMAY-UHFFFAOYSA-N
XLogP4.61
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823083
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916
N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 50839201
N-[4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybenzenesulfonamide
CID 50823137
N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
CID 155561483
N-(5-acetamido-2-methylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46454649
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 18128241
N-[2-methyl-5-[3-[3-(piperidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50779162
1-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778299
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
N-(5-chloro-2-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 29411176
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 4897163

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide (CID 50822969) is N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide is CC(=O)Nc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)no2)ccc1C.
What is the InChIKey of N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide?
The InChIKey is CLLLDFVAICJMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4S/c1-14-3-4-17(13-21(14)25-15(2)29)23-26-22(27-32-23)16-5-9-19(10-6-16)28-33(30,31)20-11-7-18(24)8-12-20/h3-13,28H,1-2H3,(H,25,29).
What are the key properties of N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide?
N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide has a molecular weight of 466.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide is sourced from PubChem (CID 50822969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).