2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide

C23H21N5O2S — CID 46267491

IUPAC2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccn3)n2-c2ccccc2)cc1
InChIInChI=1S/C23H21N5O2S/c1-16-12-13-24-20(14-16)25-21(29)15-31-23-27-26-22(17-8-10-19(30-2)11-9-17)28(23)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,25,29)
InChIKeyUPPMQNGXOURQBU-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.38
Rot. Bonds7

About 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide

2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 46267491) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID46267491
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccn3)n2-c2ccccc2)cc1
InChIInChI=1S/C23H21N5O2S/c1-16-12-13-24-20(14-16)25-21(29)15-31-23-27-26-22(17-8-10-19(30-2)11-9-17)28(23)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,25,29)
InChIKeyUPPMQNGXOURQBU-UHFFFAOYSA-N
XLogP4.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55354894
N-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1023251
N-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2042704
N-[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-phenylacetamide
CID 16568937
N-(2-hydroxyethyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46267489
2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 3721525
N-(2,6-dimethylphenyl)-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2375054
2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 4035501
N-(2,4-dimethoxyphenyl)-2-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3824791
2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 30662921
2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1221537
N-benzyl-2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1164638

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide (CID 46267491) is 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide is COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccn3)n2-c2ccccc2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is UPPMQNGXOURQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-16-12-13-24-20(14-16)25-21(29)15-31-23-27-26-22(17-8-10-19(30-2)11-9-17)28(23)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,25,29).
What are the key properties of 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide?
2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 431.52 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 46267491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).