N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C13H11ClF3N3O2S2 — CID 134010543

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCSCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C13H11ClF3N3O2S2/c1-23-6-11-19-20-12(22-11)24-5-10(21)18-9-4-7(13(15,16)17)2-3-8(9)14/h2-4H,5-6H2,1H3,(H,18,21)
InChIKeyNBTUGYZCMLGYIS-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.34
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 134010543) has the molecular formula C13H11ClF3N3O2S2 and a molecular weight of 397.83 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID134010543
Molecular FormulaC13H11ClF3N3O2S2
Molecular Weight397.83 g/mol
Exact Mass396.99
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCSCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C13H11ClF3N3O2S2/c1-23-6-11-19-20-12(22-11)24-5-10(21)18-9-4-7(13(15,16)17)2-3-8(9)14/h2-4H,5-6H2,1H3,(H,18,21)
InChIKeyNBTUGYZCMLGYIS-UHFFFAOYSA-N
XLogP4.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 21383040
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2546694
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5029573
N-[[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide
CID 4673603
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9458453
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3880301
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-[4-(methanesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1432821
N-(4-bromo-2-fluorophenyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 134010551
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2207657
2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
CID 134010615
N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 4521814
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402973

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 134010543) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CSCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is NBTUGYZCMLGYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O2S2/c1-23-6-11-19-20-12(22-11)24-5-10(21)18-9-4-7(13(15,16)17)2-3-8(9)14/h2-4H,5-6H2,1H3,(H,18,21).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 397.83 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 134010543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).