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

C18H17N3O2S — CID 6463503

IUPAC2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H17N3O2S/c1-2-24-15-11-7-6-10-14(15)18(22)19-12-16-20-17(21-23-16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,22)
InChIKeyJRFNMPMMJNHUKH-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.78
Rot. Bonds6

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

2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 6463503) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID6463503
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H17N3O2S/c1-2-24-15-11-7-6-10-14(15)18(22)19-12-16-20-17(21-23-16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,22)
InChIKeyJRFNMPMMJNHUKH-UHFFFAOYSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylsulfanylbenzamide
CID 50874997
2-benzylsulfanyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8796677
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylbenzamide
CID 50874702
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 83624712
2-iodo-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 50874673
[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894982
2-propan-2-ylsulfanyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 99842394
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
6-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinoline-4-carboxamide
CID 16673322

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 6463503) is 2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is CCSc1ccccc1C(=O)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is JRFNMPMMJNHUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-24-15-11-7-6-10-14(15)18(22)19-12-16-20-17(21-23-16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,22).
What are the key properties of 2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 6463503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).