4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide

C19H20N4O2S — CID 4866974

IUPAC4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide
SMILESCCc1ccc(OCc2ccc(C(=O)Nn3cnnc3SC)cc2)cc1
InChIInChI=1S/C19H20N4O2S/c1-3-14-6-10-17(11-7-14)25-12-15-4-8-16(9-5-15)18(24)22-23-13-20-21-19(23)26-2/h4-11,13H,3,12H2,1-2H3,(H,22,24)
InChIKeyVFJGLTGMOFLZTR-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.53
Rot. Bonds7

About 4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide

4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide (PubChem CID 4866974) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide
PubChem CID4866974
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide
SMILESCCc1ccc(OCc2ccc(C(=O)Nn3cnnc3SC)cc2)cc1
InChIInChI=1S/C19H20N4O2S/c1-3-14-6-10-17(11-7-14)25-12-15-4-8-16(9-5-15)18(24)22-23-13-20-21-19(23)26-2/h4-11,13H,3,12H2,1-2H3,(H,22,24)
InChIKeyVFJGLTGMOFLZTR-UHFFFAOYSA-N
XLogP3.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide 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 4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide (CID 4866974) is 4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide is CCc1ccc(OCc2ccc(C(=O)Nn3cnnc3SC)cc2)cc1.
What is the InChIKey of 4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide?
The InChIKey is VFJGLTGMOFLZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-14-6-10-17(11-7-14)25-12-15-4-8-16(9-5-15)18(24)22-23-13-20-21-19(23)26-2/h4-11,13H,3,12H2,1-2H3,(H,22,24).
What are the key properties of 4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide?
4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide has a molecular weight of 368.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenoxy)methyl]-N-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 4866974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).