N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

C19H21N5O2S — CID 67442839

IUPACN-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCOc1ccc(-c2nc(SCC(=O)Nc3cc(C)nc(C)c3)n[nH]2)cc1
InChIInChI=1S/C19H21N5O2S/c1-4-26-16-7-5-14(6-8-16)18-22-19(24-23-18)27-11-17(25)21-15-9-12(2)20-13(3)10-15/h5-10H,4,11H2,1-3H3,(H,20,21,25)(H,22,23,24)
InChIKeyIRBWVIIPJADUIX-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.61
Rot. Bonds7

About N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 67442839) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID67442839
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCOc1ccc(-c2nc(SCC(=O)Nc3cc(C)nc(C)c3)n[nH]2)cc1
InChIInChI=1S/C19H21N5O2S/c1-4-26-16-7-5-14(6-8-16)18-22-19(24-23-18)27-11-17(25)21-15-9-12(2)20-13(3)10-15/h5-10H,4,11H2,1-3H3,(H,20,21,25)(H,22,23,24)
InChIKeyIRBWVIIPJADUIX-UHFFFAOYSA-N
XLogP3.61
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(benzyloxy)phenyl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1090785
N-(2-Methoxy-phenyl)-2-(5-pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 866190
2-((6-(4-Methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
CID 7217445
2-[5-(4-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-phenyl-acetamide
CID 655531
N-(2,6-difluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7901364
2-(Methylthio)-6-[4-(5-{[3-(trifluoromethyl)phenyl]amino}-4H-1,2,4-triazol-3-yl)-phenoxy]-pyrimidin-4-amine
CID 53328059
2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethoxyphenyl)acetamide
CID 645628
2-[4-amino-5-(3-ethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-methoxy-5-methylph enyl)acetamide
CID 662758
2-({5,7-Dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}sulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2302373
2-({6-Benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}sulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 4072423
2-[4-(4-Methoxy-phenyl)-7,7-dimethyl-6,9-dihydro-7H-8-oxa-1,2,3a,5-tetraaza-cyclopenta[a]naphthalen-3-ylsulfanyl]-N-phenyl-propionamide
CID 5191568
N-(2-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6459091

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 67442839) is N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCOc1ccc(-c2nc(SCC(=O)Nc3cc(C)nc(C)c3)n[nH]2)cc1.
What is the InChIKey of N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is IRBWVIIPJADUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-4-26-16-7-5-14(6-8-16)18-22-19(24-23-18)27-11-17(25)21-15-9-12(2)20-13(3)10-15/h5-10H,4,11H2,1-3H3,(H,20,21,25)(H,22,23,24).
What are the key properties of N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 383.48 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 67442839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).