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

C18H19N4O2S+ — CID 4567199

IUPACN-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc[nH][n+]1-c1ccccc1
InChIInChI=1S/C18H18N4O2S/c1-2-24-16-11-7-6-10-15(16)21-17(23)12-25-18-19-13-20-22(18)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3,(H,21,23)/p+1
InChIKeyXHPRYCSLBBLKOT-UHFFFAOYSA-O
MW355.44 g/mol
LogP2.82
Rot. Bonds7

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

N-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide (PubChem CID 4567199) has the molecular formula C18H19N4O2S+ and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide
PubChem CID4567199
Molecular FormulaC18H19N4O2S+
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc[nH][n+]1-c1ccccc1
InChIInChI=1S/C18H18N4O2S/c1-2-24-16-11-7-6-10-15(16)21-17(23)12-25-18-19-13-20-22(18)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3,(H,21,23)/p+1
InChIKeyXHPRYCSLBBLKOT-UHFFFAOYSA-O
XLogP2.82
TPSA70.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-ethoxyphenyl)-2-[(5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-ium-6-yl)sulfanyl]acetamide chloride
CID 82018226
4-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-3-phenyloxadiazol-3-ium-5-olate
CID 53291393
3,3-dimethyl-1-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]butan-2-one
CID 4573900
N-(2-ethoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102705
N-(2-ethoxyphenyl)-2-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)sulfanyl]acetamide
CID 53291584
N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595241
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2337984
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 106678992
2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 92936508
2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40913778
2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 7590722
CID 174193763
CID 174193763

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide (CID 4567199) is N-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide is CCOc1ccccc1NC(=O)CSc1nc[nH][n+]1-c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide?
The InChIKey is XHPRYCSLBBLKOT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18N4O2S/c1-2-24-16-11-7-6-10-15(16)21-17(23)12-25-18-19-13-20-22(18)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3,(H,21,23)/p+1.
What are the key properties of N-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide?
N-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 4567199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).