2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide

C16H14N4OS — CID 660768

IUPAC2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(Nn1cnnc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4OS/c21-16(19-20-11-17-18-12-20)15(13-7-3-1-4-8-13)22-14-9-5-2-6-10-14/h1-12,15H,(H,19,21)
InChIKeyIRHHFEIPNYMCJH-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.88
Rot. Bonds5

About 2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide

2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 660768) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID660768
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(Nn1cnnc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4OS/c21-16(19-20-11-17-18-12-20)15(13-7-3-1-4-8-13)22-14-9-5-2-6-10-14/h1-12,15H,(H,19,21)
InChIKeyIRHHFEIPNYMCJH-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide
CID 660644
5-methyl-4-phenyl-N-4H-1,2,4-triazol-4-yl-3-thiophenecarboxamide
CID 1246306
2-naphthalen-2-ylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide
CID 2359098
2-[(2-methylphenyl)thio]-N-4H-1,2,4-triazol-4-ylacetamide
CID 56748658
2-phenyl-2-(phenylsulfanyl)-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 2930623
2-[(4-methylphenyl)thio]-N-4H-1,2,4-triazol-4-ylpropanamide
CID 2976575
2-(4-fluorophenyl)sulfanyl-2-phenyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 56782574
(2S)-2-(4-fluorophenyl)sulfanyl-2-phenyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 95614928
(2R)-2-(4-fluorophenyl)sulfanyl-2-phenyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 95614929
2-phenyl-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 5156668
2-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 46689974
2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 47138007

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide (CID 660768) is 2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide is O=C(Nn1cnnc1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is IRHHFEIPNYMCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-16(19-20-11-17-18-12-20)15(13-7-3-1-4-8-13)22-14-9-5-2-6-10-14/h1-12,15H,(H,19,21).
What are the key properties of 2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 310.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 660768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).