N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide

C17H17N5OS — CID 2948374

IUPACN-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide
SMILESCSc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C17H17N5OS/c1-24-15-9-7-14(8-10-15)17-19-21-22(20-17)12-16(23)18-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyCGSOSKVWUMVLHO-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.38
Rot. Bonds6

About N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide

N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide (PubChem CID 2948374) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide
PubChem CID2948374
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide
SMILESCSc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C17H17N5OS/c1-24-15-9-7-14(8-10-15)17-19-21-22(20-17)12-16(23)18-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyCGSOSKVWUMVLHO-UHFFFAOYSA-N
XLogP2.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]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 N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide (CID 2948374) is N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide is CSc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is CGSOSKVWUMVLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-24-15-9-7-14(8-10-15)17-19-21-22(20-17)12-16(23)18-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,23).
What are the key properties of N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide?
N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(4-methylsulfanylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 2948374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).