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

C16H14N4OS — CID 2306282

IUPACN-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C16H14N4OS/c21-15(10-22-16-17-11-18-20-16)19-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21)(H,17,18,20)
InChIKeyHWLHAFICYMDTQK-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.20
Rot. Bonds5

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

N-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2306282) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2306282
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C16H14N4OS/c21-15(10-22-16-17-11-18-20-16)19-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21)(H,17,18,20)
InChIKeyHWLHAFICYMDTQK-UHFFFAOYSA-N
XLogP3.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2306282) is N-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of N-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is HWLHAFICYMDTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-15(10-22-16-17-11-18-20-16)19-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,21)(H,17,18,20).
What are the key properties of N-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 310.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2306282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).