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

C18H16ClN3O2S — CID 31927874

IUPACN-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
SMILESCc1noc(CSc2ccccc2C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3O2S/c1-12-21-17(24-22-12)11-25-16-9-5-3-7-14(16)18(23)20-10-13-6-2-4-8-15(13)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyCWCNUHVUVBDKMJ-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.25
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide (PubChem CID 31927874) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
PubChem CID31927874
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
SMILESCc1noc(CSc2ccccc2C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3O2S/c1-12-21-17(24-22-12)11-25-16-9-5-3-7-14(16)18(23)20-10-13-6-2-4-8-15(13)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyCWCNUHVUVBDKMJ-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 55698143
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 33186980
N-[3-(methylamino)propyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119431497
N-(1-adamantylmethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 38076110
N-(2-bromophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 30390679
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 119446737
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30698035
2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 113331710
N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 18154994
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 30391120
N-[1-(2-methoxyphenyl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 43043831
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 46517408

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide (CID 31927874) is N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide is Cc1noc(CSc2ccccc2C(=O)NCc2ccccc2Cl)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is CWCNUHVUVBDKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-12-21-17(24-22-12)11-25-16-9-5-3-7-14(16)18(23)20-10-13-6-2-4-8-15(13)19/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 373.87 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 31927874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).