2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide

C16H14N4OS — CID 2930623

IUPAC2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Nc1ncn[nH]1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4OS/c21-15(19-16-17-11-18-20-16)14(12-7-3-1-4-8-12)22-13-9-5-2-6-10-13/h1-11,14H,(H2,17,18,19,20,21)
InChIKeySZTSSLNVSLQFRC-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.28
Rot. Bonds5

About 2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide

2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 2930623) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID2930623
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Nc1ncn[nH]1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4OS/c21-15(19-16-17-11-18-20-16)14(12-7-3-1-4-8-12)22-13-9-5-2-6-10-13/h1-11,14H,(H2,17,18,19,20,21)
InChIKeySZTSSLNVSLQFRC-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 2930623) is 2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(Nc1ncn[nH]1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is SZTSSLNVSLQFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-15(19-16-17-11-18-20-16)14(12-7-3-1-4-8-12)22-13-9-5-2-6-10-13/h1-11,14H,(H2,17,18,19,20,21).
What are the key properties of 2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 310.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 2930623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).