2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide

C24H23N5O2S — CID 55712349

IUPAC2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
SMILESCc1ccc(-n2cnnc2SCC(=O)NCc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C24H23N5O2S/c1-18-8-10-21(11-9-18)29-17-27-28-24(29)32-16-23(30)26-14-19-5-4-7-22(13-19)31-15-20-6-2-3-12-25-20/h2-13,17H,14-16H2,1H3,(H,26,30)
InChIKeyWXYCDERJWCSBID-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.96
Rot. Bonds9

About 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide

2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide (PubChem CID 55712349) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
PubChem CID55712349
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
SMILESCc1ccc(-n2cnnc2SCC(=O)NCc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C24H23N5O2S/c1-18-8-10-21(11-9-18)29-17-27-28-24(29)32-16-23(30)26-14-19-5-4-7-22(13-19)31-15-20-6-2-3-12-25-20/h2-13,17H,14-16H2,1H3,(H,26,30)
InChIKeyWXYCDERJWCSBID-UHFFFAOYSA-N
XLogP3.96
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46594988
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509188
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
N-[2-(3-methylphenoxy)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 40738965
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55712318
2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 39898028
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
N-[2-(2-methylphenoxy)ethyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55909002
N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42310783
N-(cyclopropylmethyl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 34832601
N-[2-(4-methoxyphenyl)ethyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31922303

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide (CID 55712349) is 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide is Cc1ccc(-n2cnnc2SCC(=O)NCc2cccc(OCc3ccccn3)c2)cc1.
What is the InChIKey of 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The InChIKey is WXYCDERJWCSBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-18-8-10-21(11-9-18)29-17-27-28-24(29)32-16-23(30)26-14-19-5-4-7-22(13-19)31-15-20-6-2-3-12-25-20/h2-13,17H,14-16H2,1H3,(H,26,30).
What are the key properties of 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide has a molecular weight of 445.55 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 55712349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).