N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide

C20H18F8N6O3S — CID 142425743

About N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide

N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide (PubChem CID 142425743) has the molecular formula C20H18F8N6O3S and a molecular weight of 574.45 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide.

Molecular Properties

• Compound Name: N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide
• PubChem CID: 142425743
• Molecular Formula: C20H18F8N6O3S
• Molecular Weight: 574.45 g/mol
• Exact Mass: 574.10
• IUPAC Name: N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide
• SMILES: CCS(=O)N(CC(Nc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(OC(F)F)cc1F)CC(F)(F)F
• InChI: InChI=1S/C20H18F8N6O3S/c1-2-38(35)34(9-20(26,27)28)8-14(12-4-3-11(5-13(12)21)36-18(24)25)31-19-29-6-10(7-30-19)16-32-33-17(37-16)15(22)23/h3-7,14-15,18H,2,8-9H2,1H3,(H,29,30,31)
• InChIKey: XTFKKMYECVAMCF-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 106.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.45
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide?

The IUPAC name of N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide (CID 142425743) is N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide.

What is the SMILES notation for N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide?

The canonical SMILES for N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide is CCS(=O)N(CC(Nc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(OC(F)F)cc1F)CC(F)(F)F.

What is the InChIKey of N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide?

The InChIKey is XTFKKMYECVAMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F8N6O3S/c1-2-38(35)34(9-20(26,27)28)8-14(12-4-3-11(5-13(12)21)36-18(24)25)31-19-29-6-10(7-30-19)16-32-33-17(37-16)15(22)23/h3-7,14-15,18H,2,8-9H2,1H3,(H,29,30,31).

What are the key properties of N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide?

N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide has a molecular weight of 574.45 g/mol, XLogP of 4.91, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide is sourced from PubChem (CID 142425743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).