N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide

C13H15N3O2S — CID 3004205

IUPACN-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCc1n[nH]c(=S)o1
InChIInChI=1S/C13H15N3O2S/c1-2-9-5-3-4-6-10(9)14-11(17)7-8-12-15-16-13(19)18-12/h3-6H,2,7-8H2,1H3,(H,14,17)(H,16,19)
InChIKeyWWLJKDTZCZTUCM-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.87
Rot. Bonds5

About N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide

N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide (PubChem CID 3004205) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide
PubChem CID3004205
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCc1n[nH]c(=S)o1
InChIInChI=1S/C13H15N3O2S/c1-2-9-5-3-4-6-10(9)14-11(17)7-8-12-15-16-13(19)18-12/h3-6H,2,7-8H2,1H3,(H,14,17)(H,16,19)
InChIKeyWWLJKDTZCZTUCM-UHFFFAOYSA-N
XLogP2.87
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
N-(2-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334044
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-ethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758721
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
5-[2-(2-methoxyphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione
CID 82291621
N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41331644
N-(2-ethylphenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754661

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide (CID 3004205) is N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide is CCc1ccccc1NC(=O)CCc1n[nH]c(=S)o1.
What is the InChIKey of N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide?
The InChIKey is WWLJKDTZCZTUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-9-5-3-4-6-10(9)14-11(17)7-8-12-15-16-13(19)18-12/h3-6H,2,7-8H2,1H3,(H,14,17)(H,16,19).
What are the key properties of N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide?
N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide has a molecular weight of 277.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 3004205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).