N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

C21H25N5OS — CID 16508705

IUPACN-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccccc1-n1nnnc1SC(C)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H25N5OS/c1-14-8-6-7-9-18(14)26-20(23-24-25-26)28-15(2)19(27)22-17-12-10-16(11-13-17)21(3,4)5/h6-13,15H,1-5H3,(H,22,27)
InChIKeyWVERFJTZFGQHHJ-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.39
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 16508705) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID16508705
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccccc1-n1nnnc1SC(C)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H25N5OS/c1-14-8-6-7-9-18(14)26-20(23-24-25-26)28-15(2)19(27)22-17-12-10-16(11-13-17)21(3,4)5/h6-13,15H,1-5H3,(H,22,27)
InChIKeyWVERFJTZFGQHHJ-UHFFFAOYSA-N
XLogP4.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-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

Related Compounds

N-(4-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508636
(2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9462531
(2S)-N-(3,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646114
(2R)-N-(3,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646116
N-(3-chlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508638
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 42972069
(2S)-N-(2-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646697
(2R)-N-(2-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646698
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 7877912
(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 25363493
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 16508706
(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464575

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 16508705) is N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is Cc1ccccc1-n1nnnc1SC(C)C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is WVERFJTZFGQHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-14-8-6-7-9-18(14)26-20(23-24-25-26)28-15(2)19(27)22-17-12-10-16(11-13-17)21(3,4)5/h6-13,15H,1-5H3,(H,22,27).
What are the key properties of N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 395.53 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 16508705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).