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

C18H15Cl2N3O2S — CID 43976548

IUPACN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)o2)cc1
InChIInChI=1S/C18H15Cl2N3O2S/c1-2-26-15-5-3-11(4-6-15)7-16(24)21-18-23-22-17(25-18)12-8-13(19)10-14(20)9-12/h3-6,8-10H,2,7H2,1H3,(H,21,23,24)
InChIKeyIDKIQTFACTXAFH-UHFFFAOYSA-N
MW408.31 g/mol
LogP5.34
Rot. Bonds6

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

N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide (PubChem CID 43976548) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
PubChem CID43976548
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccc(CC(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)o2)cc1
InChIInChI=1S/C18H15Cl2N3O2S/c1-2-26-15-5-3-11(4-6-15)7-16(24)21-18-23-22-17(25-18)12-8-13(19)10-14(20)9-12/h3-6,8-10H,2,7H2,1H3,(H,21,23,24)
InChIKeyIDKIQTFACTXAFH-UHFFFAOYSA-N
XLogP5.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.31
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 16854452
2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 18586837
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 16854449
2-(4-ethylsulfanylphenyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41139504
2-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976507
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 16823783
3-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976508
2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 18586867
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976455
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 43976527
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 8719964
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide?
The IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide (CID 43976548) is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide?
The canonical SMILES for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide is CCSc1ccc(CC(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)o2)cc1.
What is the InChIKey of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide?
The InChIKey is IDKIQTFACTXAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c1-2-26-15-5-3-11(4-6-15)7-16(24)21-18-23-22-17(25-18)12-8-13(19)10-14(20)9-12/h3-6,8-10H,2,7H2,1H3,(H,21,23,24).
What are the key properties of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide?
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide has a molecular weight of 408.31 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide is sourced from PubChem (CID 43976548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).