methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide

C42H44F6N6O11S2 — CID 158152840

About methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide

methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide (PubChem CID 158152840) has the molecular formula C42H44F6N6O11S2 and a molecular weight of 986.97 g/mol. Its IUPAC name is methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide
• PubChem CID: 158152840
• Molecular Formula: C42H44F6N6O11S2
• Molecular Weight: 986.97 g/mol
• Exact Mass: 986.24
• IUPAC Name: methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide
• SMILES: C.CS(=O)(=O)CCN(Cc1ccc(-c2ccc3nc[nH]c(=O)c3c2)o1)C(=O)C(F)(F)F.CS(=O)(=O)CCN(Cc1ccc(-c2ccc3ncnc(OC4CCCCO4)c3c2)o1)C(=O)C(F)(F)F
• InChI: InChI=1S/C23H24F3N3O6S.C18H16F3N3O5S.CH4/c1-36(31,32)11-9-29(22(30)23(24,25)26)13-16-6-8-19(34-16)15-5-7-18-17(12-15)21(28-14-27-18)35-20-4-2-3-10-33-20;1-30(27,28)7-6-24(17(26)18(19,20)21)9-12-3-5-15(29-12)11-2-4-14-13(8-11)16(25)23-10-22-14;/h5-8,12,14,20H,2-4,9-11,13H2,1H3;2-5,8,10H,6-7,9H2,1H3,(H,22,23,25);1H4
• InChIKey: FVIFBDAUMYANRR-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 225.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	986.97
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide?

The IUPAC name of methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide (CID 158152840) is methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide.

What is the SMILES notation for methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide?

The canonical SMILES for methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide is C.CS(=O)(=O)CCN(Cc1ccc(-c2ccc3nc[nH]c(=O)c3c2)o1)C(=O)C(F)(F)F.CS(=O)(=O)CCN(Cc1ccc(-c2ccc3ncnc(OC4CCCCO4)c3c2)o1)C(=O)C(F)(F)F.

What is the InChIKey of methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide?

The InChIKey is FVIFBDAUMYANRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O6S.C18H16F3N3O5S.CH4/c1-36(31,32)11-9-29(22(30)23(24,25)26)13-16-6-8-19(34-16)15-5-7-18-17(12-15)21(28-14-27-18)35-20-4-2-3-10-33-20;1-30(27,28)7-6-24(17(26)18(19,20)21)9-12-3-5-15(29-12)11-2-4-14-13(8-11)16(25)23-10-22-14;/h5-8,12,14,20H,2-4,9-11,13H2,1H3;2-5,8,10H,6-7,9H2,1H3,(H,22,23,25);1H4.

What are the key properties of methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide?

methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide has a molecular weight of 986.97 g/mol, XLogP of 6.49, 14 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-[4-(oxan-2-yloxy)quinazolin-6-yl]furan-2-yl]methyl]acetamide;2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[5-(4-oxo-3H-quinazolin-6-yl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 158152840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).