3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide

C15H21N3O2S2 — CID 46446404

IUPAC3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide
SMILESCC(C)c1noc(CCC(=O)NCCSCc2cccs2)n1
InChIInChI=1S/C15H21N3O2S2/c1-11(2)15-17-14(20-18-15)6-5-13(19)16-7-9-21-10-12-4-3-8-22-12/h3-4,8,11H,5-7,9-10H2,1-2H3,(H,16,19)
InChIKeyFSVHHPFGVSMNIA-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.24
Rot. Bonds9

About 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide (PubChem CID 46446404) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide
PubChem CID46446404
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide
SMILESCC(C)c1noc(CCC(=O)NCCSCc2cccs2)n1
InChIInChI=1S/C15H21N3O2S2/c1-11(2)15-17-14(20-18-15)6-5-13(19)16-7-9-21-10-12-4-3-8-22-12/h3-4,8,11H,5-7,9-10H2,1-2H3,(H,16,19)
InChIKeyFSVHHPFGVSMNIA-UHFFFAOYSA-N
XLogP3.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46448879
N-(3-hydroxybutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111433361
N-(3-hydroxy-4-methylpentyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111461301
N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119496886
N-[(4-chlorophenyl)methyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38767491
2-methyl-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111554088
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
4-(4-acetylpiperazin-1-yl)-4-oxo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]butanamide
CID 9472061
1-ethyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111554583
4-(1H-benzimidazol-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]butanamide
CID 46411184
N-[2-(ethylamino)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119504800
N-(3-aminobutyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119495002

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide?
The IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide (CID 46446404) is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide?
The canonical SMILES for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide is CC(C)c1noc(CCC(=O)NCCSCc2cccs2)n1.
What is the InChIKey of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide?
The InChIKey is FSVHHPFGVSMNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-11(2)15-17-14(20-18-15)6-5-13(19)16-7-9-21-10-12-4-3-8-22-12/h3-4,8,11H,5-7,9-10H2,1-2H3,(H,16,19).
What are the key properties of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide?
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide has a molecular weight of 339.49 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 46446404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).