2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone

C19H26N4O5S — CID 647042

IUPAC2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCOCCn1c(COc2cccc(OC)c2)nnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C19H26N4O5S/c1-25-9-8-23-17(13-28-16-5-3-4-15(12-16)26-2)20-21-19(23)29-14-18(24)22-6-10-27-11-7-22/h3-5,12H,6-11,13-14H2,1-2H3
InChIKeyMEHRLYNWXPSKCL-UHFFFAOYSA-N
MW422.51 g/mol
LogP1.46
Rot. Bonds10

About 2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone

2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 647042) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID647042
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC Name2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCOCCn1c(COc2cccc(OC)c2)nnc1SCC(=O)N1CCOCC1
InChIInChI=1S/C19H26N4O5S/c1-25-9-8-23-17(13-28-16-5-3-4-15(12-16)26-2)20-21-19(23)29-14-18(24)22-6-10-27-11-7-22/h3-5,12H,6-11,13-14H2,1-2H3
InChIKeyMEHRLYNWXPSKCL-UHFFFAOYSA-N
XLogP1.46
TPSA87.94 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone 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-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 647042) is 2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone is COCCn1c(COc2cccc(OC)c2)nnc1SCC(=O)N1CCOCC1.
What is the InChIKey of 2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is MEHRLYNWXPSKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-25-9-8-23-17(13-28-16-5-3-4-15(12-16)26-2)20-21-19(23)29-14-18(24)22-6-10-27-11-7-22/h3-5,12H,6-11,13-14H2,1-2H3.
What are the key properties of 2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 422.51 g/mol, XLogP of 1.46, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 647042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).