N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide

C32H35F4N11O7S4 — CID 166091708

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide (PubChem CID 166091708) has the molecular formula C32H35F4N11O7S4 and a molecular weight of 889.96 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide
• PubChem CID: 166091708
• Molecular Formula: C32H35F4N11O7S4
• Molecular Weight: 889.96 g/mol
• Exact Mass: 889.15
• IUPAC Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide
• SMILES: CCCn1cc(N(Cc2ncc(-c3nnc(C(F)F)o3)s2)S(=O)(=O)CCCOCc2ccc(N(Cc3ncc(-c4nnc(C(F)F)o4)s3)S(=O)(=O)CC)cn2)nc1C
• InChI: InChI=1S/C32H35F4N11O7S4/c1-4-9-45-15-24(40-19(45)3)47(17-26-39-14-23(56-26)30-42-44-32(54-30)28(35)36)58(50,51)11-6-10-52-18-20-7-8-21(12-37-20)46(57(48,49)5-2)16-25-38-13-22(55-25)29-41-43-31(53-29)27(33)34/h7-8,12-15,27-28H,4-6,9-11,16-18H2,1-3H3
• InChIKey: JSXNHPVBGCGMAM-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 218.32 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.96
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide?

The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide (CID 166091708) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide.

What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide?

The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide is CCCn1cc(N(Cc2ncc(-c3nnc(C(F)F)o3)s2)S(=O)(=O)CCCOCc2ccc(N(Cc3ncc(-c4nnc(C(F)F)o4)s3)S(=O)(=O)CC)cn2)nc1C.

What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide?

The InChIKey is JSXNHPVBGCGMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F4N11O7S4/c1-4-9-45-15-24(40-19(45)3)47(17-26-39-14-23(56-26)30-42-44-32(54-30)28(35)36)58(50,51)11-6-10-52-18-20-7-8-21(12-37-20)46(57(48,49)5-2)16-25-38-13-22(55-25)29-41-43-31(53-29)27(33)34/h7-8,12-15,27-28H,4-6,9-11,16-18H2,1-3H3.

What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide?

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide has a molecular weight of 889.96 g/mol, XLogP of 6.18, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-[[5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl-ethylsulfonylamino]-2-pyridinyl]methoxy]-N-(2-methyl-1-propylimidazol-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 166091708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).