2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide

C19H21N5OS — CID 3748522

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)Sc2nnnn2-c2ccccc2)c(C)c1
InChIInChI=1S/C19H21N5OS/c1-12-10-13(2)17(14(3)11-12)20-18(25)15(4)26-19-21-22-23-24(19)16-8-6-5-7-9-16/h5-11,15H,1-4H3,(H,20,25)
InChIKeyHQHFDXNQCYGMDQ-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.71
Rot. Bonds5

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 3748522) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID3748522
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)Sc2nnnn2-c2ccccc2)c(C)c1
InChIInChI=1S/C19H21N5OS/c1-12-10-13(2)17(14(3)11-12)20-18(25)15(4)26-19-21-22-23-24(19)16-8-6-5-7-9-16/h5-11,15H,1-4H3,(H,20,25)
InChIKeyHQHFDXNQCYGMDQ-UHFFFAOYSA-N
XLogP3.71
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide 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 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide (CID 3748522) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)Sc2nnnn2-c2ccccc2)c(C)c1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is HQHFDXNQCYGMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-10-13(2)17(14(3)11-12)20-18(25)15(4)26-19-21-22-23-24(19)16-8-6-5-7-9-16/h5-11,15H,1-4H3,(H,20,25).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 367.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 3748522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).