2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide

C18H26N4O3S — CID 128995944

IUPAC2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCCn1c([C@H]2OCC[C@H]2C)nn(CC(=O)Nc2sc(C)c(C)c2C)c1=O
InChIInChI=1S/C18H26N4O3S/c1-6-21-16(15-10(2)7-8-25-15)20-22(18(21)24)9-14(23)19-17-12(4)11(3)13(5)26-17/h10,15H,6-9H2,1-5H3,(H,19,23)/t10-,15+/m1/s1
InChIKeyQHTAZDYTEONHSD-BMIGLBTASA-N
MW378.50 g/mol
LogP2.79
Rot. Bonds5

About 2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide

2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide (PubChem CID 128995944) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
PubChem CID128995944
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCCn1c([C@H]2OCC[C@H]2C)nn(CC(=O)Nc2sc(C)c(C)c2C)c1=O
InChIInChI=1S/C18H26N4O3S/c1-6-21-16(15-10(2)7-8-25-15)20-22(18(21)24)9-14(23)19-17-12(4)11(3)13(5)26-17/h10,15H,6-9H2,1-5H3,(H,19,23)/t10-,15+/m1/s1
InChIKeyQHTAZDYTEONHSD-BMIGLBTASA-N
XLogP2.79
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide with MolForge

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Related Compounds

4-ethyl-2-(3-hydroxypropyl)-5-[(2S,3R)-3-methyloxolan-2-yl]-1,2,4-triazol-3-one
CID 129002523
4-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-1,2,4-triazol-3-one
CID 128996364
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-1,2,4-triazol-3-one
CID 129007192
4-ethyl-2-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-1,2,4-triazol-3-one
CID 129336229
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-1,2,4-triazol-3-one
CID 129007225
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 95783517
4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1,2,4-triazol-3-one
CID 129001416
2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 99841724
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 111487922
2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121118284
ethyl 2-[[2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]acetate
CID 121118349
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide;hydrochloride
CID 120760232

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide (CID 128995944) is 2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide is CCn1c([C@H]2OCC[C@H]2C)nn(CC(=O)Nc2sc(C)c(C)c2C)c1=O.
What is the InChIKey of 2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The InChIKey is QHTAZDYTEONHSD-BMIGLBTASA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-6-21-16(15-10(2)7-8-25-15)20-22(18(21)24)9-14(23)19-17-12(4)11(3)13(5)26-17/h10,15H,6-9H2,1-5H3,(H,19,23)/t10-,15+/m1/s1.
What are the key properties of 2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-3-[(2S,3R)-3-methyloxolan-2-yl]-5-oxo-1,2,4-triazol-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 128995944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).