2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide

C19H20N4OS — CID 5156109

IUPAC2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1nnc(-c2ccccc2)n1C)c1ccccc1
InChIInChI=1S/C19H20N4OS/c1-14(15-9-5-3-6-10-15)20-17(24)13-25-19-22-21-18(23(19)2)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,20,24)
InChIKeyLPCMVBRXHJIOHG-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.45
Rot. Bonds6

About 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide

2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide (PubChem CID 5156109) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
PubChem CID5156109
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1nnc(-c2ccccc2)n1C)c1ccccc1
InChIInChI=1S/C19H20N4OS/c1-14(15-9-5-3-6-10-15)20-17(24)13-25-19-22-21-18(23(19)2)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,20,24)
InChIKeyLPCMVBRXHJIOHG-UHFFFAOYSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide (CID 5156109) is 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide is CC(NC(=O)CSc1nnc(-c2ccccc2)n1C)c1ccccc1.
What is the InChIKey of 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The InChIKey is LPCMVBRXHJIOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-14(15-9-5-3-6-10-15)20-17(24)13-25-19-22-21-18(23(19)2)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,20,24).
What are the key properties of 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 5156109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).