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

C17H12ClF2N3O4S2 — CID 55340382

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C17H12ClF2N3O4S2/c18-11-7-5-10(6-8-11)15-22-23-17(27-15)28-9-14(24)21-12-3-1-2-4-13(12)29(25,26)16(19)20/h1-8,16H,9H2,(H,21,24)
InChIKeyZXXRTPCZZCNDCZ-UHFFFAOYSA-N
MW459.88 g/mol
LogP4.12
Rot. Bonds7

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

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide (PubChem CID 55340382) has the molecular formula C17H12ClF2N3O4S2 and a molecular weight of 459.88 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
PubChem CID55340382
Molecular FormulaC17H12ClF2N3O4S2
Molecular Weight459.88 g/mol
Exact Mass458.99
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C17H12ClF2N3O4S2/c18-11-7-5-10(6-8-11)15-22-23-17(27-15)28-9-14(24)21-12-3-1-2-4-13(12)29(25,26)16(19)20/h1-8,16H,9H2,(H,21,24)
InChIKeyZXXRTPCZZCNDCZ-UHFFFAOYSA-N
XLogP4.12
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide
CID 55984212
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 51140659
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylsulfonylphenyl)acetamide
CID 24500361
ethyl 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 3913345
N-(5-acetamido-2-fluorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 55551642
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 27917055
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 18127801
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 4809747
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
N-(4-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4312624
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
CID 56735774
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 5125197

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide (CID 55340382) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide is O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide?
The InChIKey is ZXXRTPCZZCNDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O4S2/c18-11-7-5-10(6-8-11)15-22-23-17(27-15)28-9-14(24)21-12-3-1-2-4-13(12)29(25,26)16(19)20/h1-8,16H,9H2,(H,21,24).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide has a molecular weight of 459.88 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 55340382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).