N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

C22H26N4O4S — CID 653650

IUPACN-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C22H26N4O4S/c1-5-26-20(13-30-16-8-6-15(2)7-9-16)24-25-22(26)31-14-21(27)23-18-12-17(28-3)10-11-19(18)29-4/h6-12H,5,13-14H2,1-4H3,(H,23,27)
InChIKeyCOXHGGAEAWBMTM-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.93
Rot. Bonds10

About N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 653650) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID653650
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C22H26N4O4S/c1-5-26-20(13-30-16-8-6-15(2)7-9-16)24-25-22(26)31-14-21(27)23-18-12-17(28-3)10-11-19(18)29-4/h6-12H,5,13-14H2,1-4H3,(H,23,27)
InChIKeyCOXHGGAEAWBMTM-UHFFFAOYSA-N
XLogP3.93
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-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 N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 653650) is N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is COXHGGAEAWBMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-5-26-20(13-30-16-8-6-15(2)7-9-16)24-25-22(26)31-14-21(27)23-18-12-17(28-3)10-11-19(18)29-4/h6-12H,5,13-14H2,1-4H3,(H,23,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 442.54 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 653650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).