4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide

C20H15F2N5O3S — CID 55495293

About 4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide

4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide (PubChem CID 55495293) has the molecular formula C20H15F2N5O3S and a molecular weight of 443.44 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide.

Molecular Properties

• Compound Name: 4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide
• PubChem CID: 55495293
• Molecular Formula: C20H15F2N5O3S
• Molecular Weight: 443.44 g/mol
• Exact Mass: 443.09
• IUPAC Name: 4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide
• SMILES: Cc1nc2c3ccccc3nc(SCC(=O)NC(=O)c3ccc(OC(F)F)cc3)n2n1
• InChI: InChI=1S/C20H15F2N5O3S/c1-11-23-17-14-4-2-3-5-15(14)24-20(27(17)26-11)31-10-16(28)25-18(29)12-6-8-13(9-7-12)30-19(21)22/h2-9,19H,10H2,1H3,(H,25,28,29)
• InChIKey: UVAKGUGVFNZYJW-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.44
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide?

The IUPAC name of 4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide (CID 55495293) is 4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide.

What is the SMILES notation for 4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide?

The canonical SMILES for 4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide is Cc1nc2c3ccccc3nc(SCC(=O)NC(=O)c3ccc(OC(F)F)cc3)n2n1.

What is the InChIKey of 4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide?

The InChIKey is UVAKGUGVFNZYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O3S/c1-11-23-17-14-4-2-3-5-15(14)24-20(27(17)26-11)31-10-16(28)25-18(29)12-6-8-13(9-7-12)30-19(21)22/h2-9,19H,10H2,1H3,(H,25,28,29).

What are the key properties of 4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide?

4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide has a molecular weight of 443.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide is sourced from PubChem (CID 55495293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).