N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C16H14N4OS — CID 2660034

IUPACN-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H14N4OS/c21-15(18-13-7-3-1-4-8-13)11-22-16-19-17-12-20(16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,21)
InChIKeyFSANKFXSCSQHPY-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.00
Rot. Bonds5

About N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2660034) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2660034
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H14N4OS/c21-15(18-13-7-3-1-4-8-13)11-22-16-19-17-12-20(16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,21)
InChIKeyFSANKFXSCSQHPY-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2660034) is N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is FSANKFXSCSQHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-15(18-13-7-3-1-4-8-13)11-22-16-19-17-12-20(16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,21).
What are the key properties of N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 310.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2660034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).