2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide

C22H15F2N3O2S — CID 46377437

IUPAC2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide
SMILESO=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1c(F)cccc1F
InChIInChI=1S/C22H15F2N3O2S/c23-17-7-4-8-18(24)20(17)21(28)25-15-9-11-16(12-10-15)30-13-19-26-27-22(29-19)14-5-2-1-3-6-14/h1-12H,13H2,(H,25,28)
InChIKeyKGXHZFGTBPQQSL-UHFFFAOYSA-N
MW423.44 g/mol
LogP5.56
Rot. Bonds6

About 2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide

2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide (PubChem CID 46377437) has the molecular formula C22H15F2N3O2S and a molecular weight of 423.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide
PubChem CID46377437
Molecular FormulaC22H15F2N3O2S
Molecular Weight423.44 g/mol
Exact Mass423.09
IUPAC Name2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide
SMILESO=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1c(F)cccc1F
InChIInChI=1S/C22H15F2N3O2S/c23-17-7-4-8-18(24)20(17)21(28)25-15-9-11-16(12-10-15)30-13-19-26-27-22(29-19)14-5-2-1-3-6-14/h1-12H,13H2,(H,25,28)
InChIKeyKGXHZFGTBPQQSL-UHFFFAOYSA-N
XLogP5.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 78762124
N-[4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenyl]benzamide
CID 46383138
2,3-difluoro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 146126861
2-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2080446
2,6-difluoro-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide
CID 46390470
4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenol
CID 61032229
3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 79133881
N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391030
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
5-(3-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392496
N-[4-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]phenyl]-2-methylpropanamide
CID 46383158
2-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]sulfanylacetic acid
CID 68686576

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide (CID 46377437) is 2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide is O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide?
The InChIKey is KGXHZFGTBPQQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2S/c23-17-7-4-8-18(24)20(17)21(28)25-15-9-11-16(12-10-15)30-13-19-26-27-22(29-19)14-5-2-1-3-6-14/h1-12H,13H2,(H,25,28).
What are the key properties of 2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide?
2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide has a molecular weight of 423.44 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide is sourced from PubChem (CID 46377437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).