N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide

C22H16F2N4O2S — CID 50847443

IUPACN-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide
SMILESCc1ccc(-c2noc(-c3cccnc3SCC(=O)Nc3cc(F)ccc3F)n2)cc1
InChIInChI=1S/C22H16F2N4O2S/c1-13-4-6-14(7-5-13)20-27-21(30-28-20)16-3-2-10-25-22(16)31-12-19(29)26-18-11-15(23)8-9-17(18)24/h2-11H,12H2,1H3,(H,26,29)
InChIKeyPPEZYRZISGPTKM-UHFFFAOYSA-N
MW438.46 g/mol
LogP5.12
Rot. Bonds6

About N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide

N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide (PubChem CID 50847443) has the molecular formula C22H16F2N4O2S and a molecular weight of 438.46 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide
PubChem CID50847443
Molecular FormulaC22H16F2N4O2S
Molecular Weight438.46 g/mol
Exact Mass438.10
IUPAC NameN-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide
SMILESCc1ccc(-c2noc(-c3cccnc3SCC(=O)Nc3cc(F)ccc3F)n2)cc1
InChIInChI=1S/C22H16F2N4O2S/c1-13-4-6-14(7-5-13)20-27-21(30-28-20)16-3-2-10-25-22(16)31-12-19(29)26-18-11-15(23)8-9-17(18)24/h2-11H,12H2,1H3,(H,26,29)
InChIKeyPPEZYRZISGPTKM-UHFFFAOYSA-N
XLogP5.12
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetic acid
CID 97032554
N-(2,5-difluorophenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53331457
N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160891
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135854
N-(4-bromo-2-fluorophenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373566
N-(2,5-difluorophenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562423
2-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 53128146
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53156209
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 53364696
N-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365090
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866205

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide (CID 50847443) is N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide is Cc1ccc(-c2noc(-c3cccnc3SCC(=O)Nc3cc(F)ccc3F)n2)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is PPEZYRZISGPTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2S/c1-13-4-6-14(7-5-13)20-27-21(30-28-20)16-3-2-10-25-22(16)31-12-19(29)26-18-11-15(23)8-9-17(18)24/h2-11H,12H2,1H3,(H,26,29).
What are the key properties of N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide?
N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 438.46 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 50847443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).