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

C20H19F2N3O3S — CID 112786642

IUPACN-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC(Cc1nnc(SCC(=O)Nc2ccc(OC(F)F)cc2)o1)c1ccccc1
InChIInChI=1S/C20H19F2N3O3S/c1-13(14-5-3-2-4-6-14)11-18-24-25-20(28-18)29-12-17(26)23-15-7-9-16(10-8-15)27-19(21)22/h2-10,13,19H,11-12H2,1H3,(H,23,26)
InChIKeyXDPJROGBZMSJGY-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.75
Rot. Bonds9

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

N-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 112786642) has the molecular formula C20H19F2N3O3S and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID112786642
Molecular FormulaC20H19F2N3O3S
Molecular Weight419.45 g/mol
Exact Mass419.11
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC(Cc1nnc(SCC(=O)Nc2ccc(OC(F)F)cc2)o1)c1ccccc1
InChIInChI=1S/C20H19F2N3O3S/c1-13(14-5-3-2-4-6-14)11-18-24-25-20(28-18)29-12-17(26)23-15-7-9-16(10-8-15)27-19(21)22/h2-10,13,19H,11-12H2,1H3,(H,23,26)
InChIKeyXDPJROGBZMSJGY-UHFFFAOYSA-N
XLogP4.75
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenylmethoxyphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786740
N-(4-bromophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786729
N-[4-(difluoromethoxy)phenyl]-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3939395
N-(3-fluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78766160
N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78766163
N-[4-(difluoromethoxy)phenyl]-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7562394
N-[4-(difluoromethoxy)phenyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5161335
N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786767
N-(cyclopropylcarbamoyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78766154
N-[4-(difluoromethoxy)phenyl]-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3385104
N-(4-iodo-2-methylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786769
N-[4-(difluoromethoxy)phenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4027042

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 112786642) is N-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CC(Cc1nnc(SCC(=O)Nc2ccc(OC(F)F)cc2)o1)c1ccccc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is XDPJROGBZMSJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3S/c1-13(14-5-3-2-4-6-14)11-18-24-25-20(28-18)29-12-17(26)23-15-7-9-16(10-8-15)27-19(21)22/h2-10,13,19H,11-12H2,1H3,(H,23,26).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 419.45 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 112786642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).