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

C18H16ClN3O2S — CID 42797696

IUPACN-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide
SMILESCC(NC(=O)CSc1ccccc1)c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H16ClN3O2S/c1-12(20-16(23)11-25-15-8-3-2-4-9-15)18-21-17(22-24-18)13-6-5-7-14(19)10-13/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyPVHAPAGWVURXEO-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.36
Rot. Bonds6

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

N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide (PubChem CID 42797696) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide
PubChem CID42797696
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide
SMILESCC(NC(=O)CSc1ccccc1)c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H16ClN3O2S/c1-12(20-16(23)11-25-15-8-3-2-4-9-15)18-21-17(22-24-18)13-6-5-7-14(19)10-13/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyPVHAPAGWVURXEO-UHFFFAOYSA-N
XLogP4.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide (CID 42797696) is N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide is CC(NC(=O)CSc1ccccc1)c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide?
The InChIKey is PVHAPAGWVURXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-12(20-16(23)11-25-15-8-3-2-4-9-15)18-21-17(22-24-18)13-6-5-7-14(19)10-13/h2-10,12H,11H2,1H3,(H,20,23).
What are the key properties of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide?
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide has a molecular weight of 373.87 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 42797696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).