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

C18H19N5OS2 — CID 2485731

IUPAC2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)cc1C
InChIInChI=1S/C18H19N5OS2/c1-12-8-9-15(13(2)10-12)23-18(20-21-22-23)26-11-17(24)19-14-6-4-5-7-16(14)25-3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyDIMQTZPZVIYPHQ-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.73
Rot. Bonds6

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

2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 2485731) has the molecular formula C18H19N5OS2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
PubChem CID2485731
Molecular FormulaC18H19N5OS2
Molecular Weight385.52 g/mol
Exact Mass385.10
IUPAC Name2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)cc1C
InChIInChI=1S/C18H19N5OS2/c1-12-8-9-15(13(2)10-12)23-18(20-21-22-23)26-11-17(24)19-14-6-4-5-7-16(14)25-3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyDIMQTZPZVIYPHQ-UHFFFAOYSA-N
XLogP3.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide (CID 2485731) is 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)cc1C.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is DIMQTZPZVIYPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS2/c1-12-8-9-15(13(2)10-12)23-18(20-21-22-23)26-11-17(24)19-14-6-4-5-7-16(14)25-3/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 385.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2485731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).