2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C21H23N5OS — CID 4798848

IUPAC2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NC2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C21H23N5OS/c1-14-10-11-19(15(2)12-14)26-21(23-24-25-26)28-13-20(27)22-18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,10-12,18H,5,7,9,13H2,1-2H3,(H,22,27)
InChIKeyZLCARINOZIQANT-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.57
Rot. Bonds5

About 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4798848) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4798848
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NC2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C21H23N5OS/c1-14-10-11-19(15(2)12-14)26-21(23-24-25-26)28-13-20(27)22-18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,10-12,18H,5,7,9,13H2,1-2H3,(H,22,27)
InChIKeyZLCARINOZIQANT-UHFFFAOYSA-N
XLogP3.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4798848) is 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Cc1ccc(-n2nnnc2SCC(=O)NC2CCCc3ccccc32)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is ZLCARINOZIQANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-14-10-11-19(15(2)12-14)26-21(23-24-25-26)28-13-20(27)22-18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,10-12,18H,5,7,9,13H2,1-2H3,(H,22,27).
What are the key properties of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 393.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4798848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).