2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide

C19H21N5O2S — CID 11581760

IUPAC2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide
SMILESCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccn2)n1C(C)C
InChIInChI=1S/C19H21N5O2S/c1-13(2)24-18(14-8-4-5-9-15(14)26-3)22-23-19(24)27-12-17(25)21-16-10-6-7-11-20-16/h4-11,13H,12H2,1-3H3,(H,20,21,25)
InChIKeyVYSLBFHPKTUJED-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.66
Rot. Bonds7

About 2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide

2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide (PubChem CID 11581760) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide
PubChem CID11581760
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide
SMILESCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccn2)n1C(C)C
InChIInChI=1S/C19H21N5O2S/c1-13(2)24-18(14-8-4-5-9-15(14)26-3)22-23-19(24)27-12-17(25)21-16-10-6-7-11-20-16/h4-11,13H,12H2,1-3H3,(H,20,21,25)
InChIKeyVYSLBFHPKTUJED-UHFFFAOYSA-N
XLogP3.66
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725863
N-[4-[(2R)-butan-2-yl]phenyl]-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7897385
2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 19716846
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 7897372
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-tert-butylphenyl)acetamide
CID 40621304
N-(2,6-dimethylphenyl)-2-[[5-[1-(2-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43869745
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-butan-2-ylphenyl)acetamide
CID 3973411
2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 3167198
2-[[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 9341070
methyl 4-[[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 4267907
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 3713541
2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 1139937

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide (CID 11581760) is 2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide is COc1ccccc1-c1nnc(SCC(=O)Nc2ccccn2)n1C(C)C.
What is the InChIKey of 2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide?
The InChIKey is VYSLBFHPKTUJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-13(2)24-18(14-8-4-5-9-15(14)26-3)22-23-19(24)27-12-17(25)21-16-10-6-7-11-20-16/h4-11,13H,12H2,1-3H3,(H,20,21,25).
What are the key properties of 2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide?
2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide has a molecular weight of 383.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 11581760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).