2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C19H20N4O3S — CID 653234

IUPAC2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCOc1ccccc1-n1c(COc2ccccc2)nnc1SCC(N)=O
InChIInChI=1S/C19H20N4O3S/c1-2-25-16-11-7-6-10-15(16)23-18(12-26-14-8-4-3-5-9-14)21-22-19(23)27-13-17(20)24/h3-11H,2,12-13H2,1H3,(H2,20,24)
InChIKeyOLJBKTPREWYZLQ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.82
Rot. Bonds9

About 2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 653234) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID653234
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCOc1ccccc1-n1c(COc2ccccc2)nnc1SCC(N)=O
InChIInChI=1S/C19H20N4O3S/c1-2-25-16-11-7-6-10-15(16)23-18(12-26-14-8-4-3-5-9-14)21-22-19(23)27-13-17(20)24/h3-11H,2,12-13H2,1H3,(H2,20,24)
InChIKeyOLJBKTPREWYZLQ-UHFFFAOYSA-N
XLogP2.82
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 653234) is 2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCOc1ccccc1-n1c(COc2ccccc2)nnc1SCC(N)=O.
What is the InChIKey of 2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is OLJBKTPREWYZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-2-25-16-11-7-6-10-15(16)23-18(12-26-14-8-4-3-5-9-14)21-22-19(23)27-13-17(20)24/h3-11H,2,12-13H2,1H3,(H2,20,24).
What are the key properties of 2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 653234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).