N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C17H17N5OS — CID 851332

IUPACN-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCc1ccccc1NC(=O)CCSc1nnnn1-c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-13-7-5-6-10-15(13)18-16(23)11-12-24-17-19-20-21-22(17)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyDWNLUCXZKYAQDM-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.09
Rot. Bonds6

About N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 851332) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID851332
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCc1ccccc1NC(=O)CCSc1nnnn1-c1ccccc1
InChIInChI=1S/C17H17N5OS/c1-13-7-5-6-10-15(13)18-16(23)11-12-24-17-19-20-21-22(17)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyDWNLUCXZKYAQDM-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide 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-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 851332) is N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide is Cc1ccccc1NC(=O)CCSc1nnnn1-c1ccccc1.
What is the InChIKey of N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is DWNLUCXZKYAQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-13-7-5-6-10-15(13)18-16(23)11-12-24-17-19-20-21-22(17)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,23).
What are the key properties of N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 339.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 851332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).