N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide

C17H16N4O2S — CID 108733022

IUPACN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide
SMILESCCSc1n[nH]c(NC(=O)c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C17H16N4O2S/c1-2-24-17-19-16(20-21-17)18-15(22)12-7-6-10-14(11-12)23-13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H2,18,19,20,21,22)
InChIKeyGIMVQONTJPVDNN-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.96
Rot. Bonds6

About N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide

N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide (PubChem CID 108733022) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide
PubChem CID108733022
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide
SMILESCCSc1n[nH]c(NC(=O)c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C17H16N4O2S/c1-2-24-17-19-16(20-21-17)18-15(22)12-7-6-10-14(11-12)23-13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H2,18,19,20,21,22)
InChIKeyGIMVQONTJPVDNN-UHFFFAOYSA-N
XLogP3.96
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 108733024
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-4-(2-methylpropoxy)benzamide
CID 108733030
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-fluorobenzamide
CID 108756422
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 108733117
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 108811670
3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide
CID 108756489
2-(2,3-dimethylphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108756481
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 41235420
(E)-2-cyano-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide
CID 108756509
N-(3-ethylphenyl)-3-phenoxybenzamide
CID 7935232
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide?
The IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide (CID 108733022) is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide.
What is the SMILES notation for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide?
The canonical SMILES for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide is CCSc1n[nH]c(NC(=O)c2cccc(Oc3ccccc3)c2)n1.
What is the InChIKey of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide?
The InChIKey is GIMVQONTJPVDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-2-24-17-19-16(20-21-17)18-15(22)12-7-6-10-14(11-12)23-13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide?
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide has a molecular weight of 340.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenoxybenzamide is sourced from PubChem (CID 108733022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).