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

C22H18N4O4S — CID 50839201

IUPACN-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc1
InChIInChI=1S/C22H18N4O4S/c1-15(27)23-18-10-12-19(13-11-18)26-31(28,29)20-9-5-8-17(14-20)22-24-21(25-30-22)16-6-3-2-4-7-16/h2-14,26H,1H3,(H,23,27)
InChIKeyFHTFCBDDVPVHMC-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.16
Rot. Bonds6

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

N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide (PubChem CID 50839201) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
PubChem CID50839201
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC NameN-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc1
InChIInChI=1S/C22H18N4O4S/c1-15(27)23-18-10-12-19(13-11-18)26-31(28,29)20-9-5-8-17(14-20)22-24-21(25-30-22)16-6-3-2-4-7-16/h2-14,26H,1H3,(H,23,27)
InChIKeyFHTFCBDDVPVHMC-UHFFFAOYSA-N
XLogP4.16
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916
N-[4-[5-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
CID 155561483
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 4897163
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50839104
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823083
N-[5-[3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide
CID 50822969
N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103317
N-[4-[(3-hydroxyphenyl)sulfonylamino]phenyl]acetamide
CID 81264893
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 138008041
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide (CID 50839201) is N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.
What is the InChIKey of N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide?
The InChIKey is FHTFCBDDVPVHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S/c1-15(27)23-18-10-12-19(13-11-18)26-31(28,29)20-9-5-8-17(14-20)22-24-21(25-30-22)16-6-3-2-4-7-16/h2-14,26H,1H3,(H,23,27).
What are the key properties of N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide?
N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide has a molecular weight of 434.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 50839201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).