2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide

C19H19N7OS2 — CID 44546085

About 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide

2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 44546085) has the molecular formula C19H19N7OS2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide
• PubChem CID: 44546085
• Molecular Formula: C19H19N7OS2
• Molecular Weight: 425.54 g/mol
• Exact Mass: 425.11
• IUPAC Name: 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide
• SMILES: Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2Cc2ccsc2)c1C
• InChI: InChI=1S/C19H19N7OS2/c1-13-4-3-5-16(14(13)2)26-19(22-23-24-26)29-12-18(27)21-17-6-8-20-25(17)10-15-7-9-28-11-15/h3-9,11H,10,12H2,1-2H3,(H,21,27)
• InChIKey: DPOITXCOQUDXJK-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.54
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide?

The IUPAC name of 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide (CID 44546085) is 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide.

What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide?

The canonical SMILES for 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide is Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2Cc2ccsc2)c1C.

What is the InChIKey of 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide?

The InChIKey is DPOITXCOQUDXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7OS2/c1-13-4-3-5-16(14(13)2)26-19(22-23-24-26)29-12-18(27)21-17-6-8-20-25(17)10-15-7-9-28-11-15/h3-9,11H,10,12H2,1-2H3,(H,21,27).

What are the key properties of 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide?

2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 425.54 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 44546085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).