2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide

C19H29N5O2S — CID 18140839

About 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide

2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide (PubChem CID 18140839) has the molecular formula C19H29N5O2S and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
• PubChem CID: 18140839
• Molecular Formula: C19H29N5O2S
• Molecular Weight: 391.54 g/mol
• Exact Mass: 391.20
• IUPAC Name: 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
• SMILES: CCC(C)(C)C1CCC(NC(=O)CSc2nnnn2Cc2ccco2)CC1
• InChI: InChI=1S/C19H29N5O2S/c1-4-19(2,3)14-7-9-15(10-8-14)20-17(25)13-27-18-21-22-23-24(18)12-16-6-5-11-26-16/h5-6,11,14-15H,4,7-10,12-13H2,1-3H3,(H,20,25)
• InChIKey: BQJGAEBZINHETN-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.54
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?

The IUPAC name of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide (CID 18140839) is 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide.

What is the SMILES notation for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?

The canonical SMILES for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide is CCC(C)(C)C1CCC(NC(=O)CSc2nnnn2Cc2ccco2)CC1.

What is the InChIKey of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?

The InChIKey is BQJGAEBZINHETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2S/c1-4-19(2,3)14-7-9-15(10-8-14)20-17(25)13-27-18-21-22-23-24(18)12-16-6-5-11-26-16/h5-6,11,14-15H,4,7-10,12-13H2,1-3H3,(H,20,25).

What are the key properties of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?

2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide has a molecular weight of 391.54 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 18140839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).