2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide

C19H20N4O3S — CID 46869739

IUPAC2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-c2n[nH]c(C3CCCO3)n2)cc1
InChIInChI=1S/C19H20N4O3S/c1-25-13-6-4-12(5-7-13)11-16(24)20-14-8-10-27-17(14)19-21-18(22-23-19)15-3-2-9-26-15/h4-8,10,15H,2-3,9,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyAAXUWTOQWLSYQM-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.57
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide

2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide (PubChem CID 46869739) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide
PubChem CID46869739
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-c2n[nH]c(C3CCCO3)n2)cc1
InChIInChI=1S/C19H20N4O3S/c1-25-13-6-4-12(5-7-13)11-16(24)20-14-8-10-27-17(14)19-21-18(22-23-19)15-3-2-9-26-15/h4-8,10,15H,2-3,9,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyAAXUWTOQWLSYQM-UHFFFAOYSA-N
XLogP3.57
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide (CID 46869739) is 2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide is COc1ccc(CC(=O)Nc2ccsc2-c2n[nH]c(C3CCCO3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide?
The InChIKey is AAXUWTOQWLSYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-25-13-6-4-12(5-7-13)11-16(24)20-14-8-10-27-17(14)19-21-18(22-23-19)15-3-2-9-26-15/h4-8,10,15H,2-3,9,11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide is sourced from PubChem (CID 46869739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).