N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide

C22H15Cl2N3O2S — CID 3137385

IUPACN-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)o1)c1ccccc1
InChIInChI=1S/C22H15Cl2N3O2S/c23-16-11-10-15(18(24)12-16)13-30-22-27-26-21(29-22)17-8-4-5-9-19(17)25-20(28)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,28)
InChIKeyGENZZNXYGGKUHV-UHFFFAOYSA-N
MW456.35 g/mol
LogP6.59
Rot. Bonds6

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

N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 3137385) has the molecular formula C22H15Cl2N3O2S and a molecular weight of 456.35 g/mol. Its IUPAC name is N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID3137385
Molecular FormulaC22H15Cl2N3O2S
Molecular Weight456.35 g/mol
Exact Mass455.03
IUPAC NameN-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)o1)c1ccccc1
InChIInChI=1S/C22H15Cl2N3O2S/c23-16-11-10-15(18(24)12-16)13-30-22-27-26-21(29-22)17-8-4-5-9-19(17)25-20(28)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,28)
InChIKeyGENZZNXYGGKUHV-UHFFFAOYSA-N
XLogP6.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.35
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
CID 2966728
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-quinolin-2-one
CID 712681
[5-(2-Benzoylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid cyclohexyl ester
CID 1143042
2-[(4-chlorobenzyl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1930455
Dimethyl 2-[({[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]terephthalate
CID 2219307
[2-(3,5-Dichloroanilino)-2-oxoethyl] 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 2401855
N-{2-[5-(4-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-benzamide
CID 3166886
N-(2-Chlorophenyl)-2-{[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-YL]sulfanyl}acetamide
CID 7444350
2-{[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-YL]sulfanyl}-N-ethyl-N-phenylacetamide
CID 7940615
N-(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl) benzamide
CID 71458829
N-(4-acetylphenyl)-2-((5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 1124643
N-[2-(5-Benzylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenyl]-benzamide
CID 1156646

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 3137385) is N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide is O=C(Nc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)o1)c1ccccc1.
What is the InChIKey of N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is GENZZNXYGGKUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O2S/c23-16-11-10-15(18(24)12-16)13-30-22-27-26-21(29-22)17-8-4-5-9-19(17)25-20(28)14-6-2-1-3-7-14/h1-12H,13H2,(H,25,28).
What are the key properties of N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 456.35 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 3137385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).