N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide

C17H16N4O2S — CID 17420392

IUPACN-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nc(SCc2ccccc2)n[nH]1
InChIInChI=1S/C17H16N4O2S/c22-15(11-23-14-9-5-2-6-10-14)18-16-19-17(21-20-16)24-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,18,19,20,21,22)
InChIKeyYCTMJEZWLKFYNJ-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.11
Rot. Bonds7

About N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide

N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide (PubChem CID 17420392) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
PubChem CID17420392
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nc(SCc2ccccc2)n[nH]1
InChIInChI=1S/C17H16N4O2S/c22-15(11-23-14-9-5-2-6-10-14)18-16-19-17(21-20-16)24-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,18,19,20,21,22)
InChIKeyYCTMJEZWLKFYNJ-UHFFFAOYSA-N
XLogP3.11
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 108733117
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 3425381
3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide
CID 108733115
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
CID 5019580
3-(4-ethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide
CID 46741020
(E)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108756561
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-4-oxo-4-phenylbutanamide
CID 108733128
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide
CID 108733022
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-1-cyclopropyl-1,2,4-triazol-3-amine
CID 11370415
N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 18416318

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide?
The IUPAC name of N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide (CID 17420392) is N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nc(SCc2ccccc2)n[nH]1.
What is the InChIKey of N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide?
The InChIKey is YCTMJEZWLKFYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-15(11-23-14-9-5-2-6-10-14)18-16-19-17(21-20-16)24-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,18,19,20,21,22).
What are the key properties of N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide?
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide has a molecular weight of 340.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide is sourced from PubChem (CID 17420392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).