2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide

C20H20ClN3O2S — CID 50759805

IUPAC2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(C)c1
InChIInChI=1S/C20H20ClN3O2S/c1-3-24(17-6-4-5-14(2)11-17)19(25)13-27-12-18-22-20(23-26-18)15-7-9-16(21)10-8-15/h4-11H,3,12-13H2,1-2H3
InChIKeyBZFFXPCFIZDPNR-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.98
Rot. Bonds7

About 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide

2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 50759805) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID50759805
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(C)c1
InChIInChI=1S/C20H20ClN3O2S/c1-3-24(17-6-4-5-14(2)11-17)19(25)13-27-12-18-22-20(23-26-18)15-7-9-16(21)10-8-15/h4-11H,3,12-13H2,1-2H3
InChIKeyBZFFXPCFIZDPNR-UHFFFAOYSA-N
XLogP4.98
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 53132567
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 50759800
2-[(3-chlorophenyl)methylsulfanyl]-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 50874853
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-propylacetamide
CID 50759756
2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 112684612
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)-N-ethylbutanamide
CID 55670564
2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 50761128
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 51366711
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenylacetamide
CID 50759748
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 50759762
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenyl)acetamide
CID 8874831
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55462296

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide (CID 50759805) is 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CSCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(C)c1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is BZFFXPCFIZDPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-3-24(17-6-4-5-14(2)11-17)19(25)13-27-12-18-22-20(23-26-18)15-7-9-16(21)10-8-15/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 401.92 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 50759805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).