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

C17H14ClN3O2S — CID 18576988

IUPACN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H14ClN3O2S/c1-2-24-14-10-6-4-8-12(14)15(22)19-17-21-20-16(23-17)11-7-3-5-9-13(11)18/h3-10H,2H2,1H3,(H,19,21,22)
InChIKeyRCXBEGSZKBWWRM-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.75
Rot. Bonds5

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

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide (PubChem CID 18576988) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
PubChem CID18576988
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H14ClN3O2S/c1-2-24-14-10-6-4-8-12(14)15(22)19-17-21-20-16(23-17)11-7-3-5-9-13(11)18/h3-10H,2H2,1H3,(H,19,21,22)
InChIKeyRCXBEGSZKBWWRM-UHFFFAOYSA-N
XLogP4.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 5154529
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 41375411
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 40957771
2-ethylsulfanyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972468
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 25283241
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362573
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 3342651
2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577911
2-chloro-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821770
2-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7244080
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 3412636

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide (CID 18576988) is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)Nc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide?
The InChIKey is RCXBEGSZKBWWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-2-24-14-10-6-4-8-12(14)15(22)19-17-21-20-16(23-17)11-7-3-5-9-13(11)18/h3-10H,2H2,1H3,(H,19,21,22).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide?
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide has a molecular weight of 359.84 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 18576988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).