N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide

C16H11Cl2N3O2S — CID 43977044

IUPACN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C16H11Cl2N3O2S/c17-10-6-7-12(13(18)8-10)15-20-21-16(23-15)19-14(22)9-24-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,21,22)
InChIKeyNQALIQVISHHMJX-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.77
Rot. Bonds5

About N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide

N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide (PubChem CID 43977044) has the molecular formula C16H11Cl2N3O2S and a molecular weight of 380.26 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide
PubChem CID43977044
Molecular FormulaC16H11Cl2N3O2S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC NameN-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C16H11Cl2N3O2S/c17-10-6-7-12(13(18)8-10)15-20-21-16(23-15)19-14(22)9-24-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,21,22)
InChIKeyNQALIQVISHHMJX-UHFFFAOYSA-N
XLogP4.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43977052
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 41085860
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 5060857
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 4254101
2-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976507
2-(4-chlorophenyl)sulfanyl-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43971918
2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 16823760
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide
CID 17245159
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254564
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide
CID 43977106
2-(4-chlorophenyl)sulfanyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7254642
N-(4-chloro-2-fluorophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9211542

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide (CID 43977044) is N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide?
The InChIKey is NQALIQVISHHMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2S/c17-10-6-7-12(13(18)8-10)15-20-21-16(23-15)19-14(22)9-24-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,21,22).
What are the key properties of N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide?
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide has a molecular weight of 380.26 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 43977044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).