2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide

C28H24F5N11O6S4 — CID 156525766

About 2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide

2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide (PubChem CID 156525766) has the molecular formula C28H24F5N11O6S4 and a molecular weight of 833.83 g/mol. Its IUPAC name is 2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide.

Molecular Properties

• Compound Name: 2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide
• PubChem CID: 156525766
• Molecular Formula: C28H24F5N11O6S4
• Molecular Weight: 833.83 g/mol
• Exact Mass: 833.07
• IUPAC Name: 2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide
• SMILES: CCS(=O)(=O)N(Cc1nc(CCS(=O)(=O)N(Cc2ncc(-c3nnc(C(F)F)o3)s2)c2ccc(C)nc2)c(-c2nnc(C(F)F)o2)s1)c1ncc(F)cn1
• InChI: InChI=1S/C28H24F5N11O6S4/c1-3-53(45,46)44(28-36-8-15(29)9-37-28)13-20-38-17(21(52-20)25-40-42-27(50-25)23(32)33)6-7-54(47,48)43(16-5-4-14(2)34-10-16)12-19-35-11-18(51-19)24-39-41-26(49-24)22(30)31/h4-5,8-11,22-23H,3,6-7,12-13H2,1-2H3
• InChIKey: BCMHJEVBSZLDFL-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 217.05 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	833.83
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide?

The IUPAC name of 2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide (CID 156525766) is 2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide.

What is the SMILES notation for 2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide?

The canonical SMILES for 2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide is CCS(=O)(=O)N(Cc1nc(CCS(=O)(=O)N(Cc2ncc(-c3nnc(C(F)F)o3)s2)c2ccc(C)nc2)c(-c2nnc(C(F)F)o2)s1)c1ncc(F)cn1.

What is the InChIKey of 2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide?

The InChIKey is BCMHJEVBSZLDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F5N11O6S4/c1-3-53(45,46)44(28-36-8-15(29)9-37-28)13-20-38-17(21(52-20)25-40-42-27(50-25)23(32)33)6-7-54(47,48)43(16-5-4-14(2)34-10-16)12-19-35-11-18(51-19)24-39-41-26(49-24)22(30)31/h4-5,8-11,22-23H,3,6-7,12-13H2,1-2H3.

What are the key properties of 2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide?

2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide has a molecular weight of 833.83 g/mol, XLogP of 5.14, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[[ethylsulfonyl-(5-fluoropyrimidin-2-yl)amino]methyl]-1,3-thiazol-4-yl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(6-methyl-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 156525766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).