2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

C19H20N4O4S — CID 131917370

IUPAC2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccco2)n1)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C19H20N4O4S/c24-17(12-28-19-21-18(22-23-19)16-8-4-10-26-16)20-14-6-1-2-7-15(14)27-11-13-5-3-9-25-13/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H,20,24)(H,21,22,23)
InChIKeyIVWTWDJQXYWXGN-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.35
Rot. Bonds8

About 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 131917370) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID131917370
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccco2)n1)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C19H20N4O4S/c24-17(12-28-19-21-18(22-23-19)16-8-4-10-26-16)20-14-6-1-2-7-15(14)27-11-13-5-3-9-25-13/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H,20,24)(H,21,22,23)
InChIKeyIVWTWDJQXYWXGN-UHFFFAOYSA-N
XLogP3.35
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41386279
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54843141
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
N-naphthalen-1-yl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829466
4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 131932451
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824189
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17170147

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 131917370) is 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is O=C(CSc1n[nH]c(-c2ccco2)n1)Nc1ccccc1OCC1CCCO1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is IVWTWDJQXYWXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-17(12-28-19-21-18(22-23-19)16-8-4-10-26-16)20-14-6-1-2-7-15(14)27-11-13-5-3-9-25-13/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H,20,24)(H,21,22,23).
What are the key properties of 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 400.46 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 131917370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).