2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C23H23F3N4O4S — CID 15992263

About 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 15992263) has the molecular formula C23H23F3N4O4S and a molecular weight of 508.52 g/mol. Its IUPAC name is 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 15992263
• Molecular Formula: C23H23F3N4O4S
• Molecular Weight: 508.52 g/mol
• Exact Mass: 508.14
• IUPAC Name: 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
• SMILES: CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)Nc4ccccc4C(F)(F)F)c(=O)c3c2)CC1
• InChI: InChI=1S/C23H23F3N4O4S/c1-15-8-10-30(11-9-15)35(33,34)16-6-7-19-17(12-16)22(32)29(14-27-19)13-21(31)28-20-5-3-2-4-18(20)23(24,25)26/h2-7,12,14-15H,8-11,13H2,1H3,(H,28,31)
• InChIKey: MGFGOJAFZQOFJE-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 101.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.52
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 15992263) is 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)Nc4ccccc4C(F)(F)F)c(=O)c3c2)CC1.

What is the InChIKey of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

The InChIKey is MGFGOJAFZQOFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4S/c1-15-8-10-30(11-9-15)35(33,34)16-6-7-19-17(12-16)22(32)29(14-27-19)13-21(31)28-20-5-3-2-4-18(20)23(24,25)26/h2-7,12,14-15H,8-11,13H2,1H3,(H,28,31).

What are the key properties of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 508.52 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 15992263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).