2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide

C23H25N7O2S — CID 44546272

About 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide

2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 44546272) has the molecular formula C23H25N7O2S and a molecular weight of 463.57 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide
• PubChem CID: 44546272
• Molecular Formula: C23H25N7O2S
• Molecular Weight: 463.57 g/mol
• Exact Mass: 463.18
• IUPAC Name: 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide
• SMILES: COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cc(C)ccc2C)cc1C
• InChI: InChI=1S/C23H25N7O2S/c1-15-5-6-16(2)19(11-15)30-23(26-27-28-30)33-14-22(31)25-21-9-10-24-29(21)13-18-7-8-20(32-4)17(3)12-18/h5-12H,13-14H2,1-4H3,(H,25,31)
• InChIKey: GSKVWGCLKWODDK-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.57
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide?

The IUPAC name of 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide (CID 44546272) is 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide.

What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide?

The canonical SMILES for 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide is COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cc(C)ccc2C)cc1C.

What is the InChIKey of 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide?

The InChIKey is GSKVWGCLKWODDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2S/c1-15-5-6-16(2)19(11-15)30-23(26-27-28-30)33-14-22(31)25-21-9-10-24-29(21)13-18-7-8-20(32-4)17(3)12-18/h5-12H,13-14H2,1-4H3,(H,25,31).

What are the key properties of 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide?

2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 463.57 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 44546272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).