N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C17H17N5OS — CID 670693

IUPACN-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1C
InChIInChI=1S/C17H17N5OS/c1-12-7-6-10-15(13(12)2)18-16(23)11-24-17-19-20-21-22(17)14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyJTMHBXWXULPZDB-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.01
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 670693) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID670693
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1C
InChIInChI=1S/C17H17N5OS/c1-12-7-6-10-15(13(12)2)18-16(23)11-24-17-19-20-21-22(17)14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyJTMHBXWXULPZDB-UHFFFAOYSA-N
XLogP3.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide 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-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 670693) is N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is Cc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is JTMHBXWXULPZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-12-7-6-10-15(13(12)2)18-16(23)11-24-17-19-20-21-22(17)14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,18,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 339.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 670693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).