4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide

C18H18N4OS — CID 17452850

IUPAC4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide
SMILESCCc1nc(SCc2ccc(C(=O)Nc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C18H18N4OS/c1-2-16-20-18(22-21-16)24-12-13-8-10-14(11-9-13)17(23)19-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyZWVYKFFDPGEPDI-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.91
Rot. Bonds6

About 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide

4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide (PubChem CID 17452850) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide
PubChem CID17452850
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide
SMILESCCc1nc(SCc2ccc(C(=O)Nc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C18H18N4OS/c1-2-16-20-18(22-21-16)24-12-13-8-10-14(11-9-13)17(23)19-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyZWVYKFFDPGEPDI-UHFFFAOYSA-N
XLogP3.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide 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-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-2,2,2-trifluoroacetamide
CID 17220629
N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
CID 851612
4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-N-phenylbenzamide
CID 7570194
4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide
CID 16587918
5-ethyl-3-(naphthalen-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 91686966
4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide
CID 31903464
N-(4-ethylphenyl)benzamide
CID 774063
N-phenyl-4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzamide
CID 16580210
5-ethyl-3-[(4-propan-2-yloxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 799705
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
N-phenyl-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 55861309
4-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide
CID 42000315

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide?
The IUPAC name of 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide (CID 17452850) is 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide is CCc1nc(SCc2ccc(C(=O)Nc3ccccc3)cc2)n[nH]1.
What is the InChIKey of 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide?
The InChIKey is ZWVYKFFDPGEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-2-16-20-18(22-21-16)24-12-13-8-10-14(11-9-13)17(23)19-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide?
4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide has a molecular weight of 338.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide is sourced from PubChem (CID 17452850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).