N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C17H16N4O2S — CID 2352685

IUPACN-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H16N4O2S/c22-16(11-24-17-18-12-19-21-17)20-14-6-8-15(9-7-14)23-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)(H,18,19,21)
InChIKeyDGZHCSUGBYNGPE-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.11
Rot. Bonds7

About N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2352685) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2352685
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H16N4O2S/c22-16(11-24-17-18-12-19-21-17)20-14-6-8-15(9-7-14)23-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)(H,18,19,21)
InChIKeyDGZHCSUGBYNGPE-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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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2352685) is N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is DGZHCSUGBYNGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16(11-24-17-18-12-19-21-17)20-14-6-8-15(9-7-14)23-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)(H,18,19,21).
What are the key properties of N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide 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-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2352685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).