2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide

C37H35F6N5O9S2 — CID 159900558

About 2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide

2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide (PubChem CID 159900558) has the molecular formula C37H35F6N5O9S2 and a molecular weight of 871.84 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide
• PubChem CID: 159900558
• Molecular Formula: C37H35F6N5O9S2
• Molecular Weight: 871.84 g/mol
• Exact Mass: 871.18
• IUPAC Name: 2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide
• SMILES: COc1ccccc1N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)S(C)(=O)=O.COc1ccccc1N(Cc1ccc(C(=O)CNC(=O)C(F)F)cc1F)S(C)(=O)=O
• InChI: InChI=1S/C19H19F3N2O5S.C18H16F3N3O4S/c1-29-17-6-4-3-5-15(17)24(30(2,27)28)11-13-8-7-12(9-14(13)20)16(25)10-23-19(26)18(21)22;1-27-15-6-4-3-5-14(15)24(29(2,25)26)10-12-8-7-11(9-13(12)19)17-22-23-18(28-17)16(20)21/h3-9,18H,10-11H2,1-2H3,(H,23,26);3-9,16H,10H2,1-2H3
• InChIKey: NVXBLYDZNZSGCX-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 178.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	871.84
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide?

The IUPAC name of 2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide (CID 159900558) is 2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide.

What is the SMILES notation for 2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide?

The canonical SMILES for 2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide is COc1ccccc1N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)S(C)(=O)=O.COc1ccccc1N(Cc1ccc(C(=O)CNC(=O)C(F)F)cc1F)S(C)(=O)=O.

What is the InChIKey of 2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide?

The InChIKey is NVXBLYDZNZSGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5S.C18H16F3N3O4S/c1-29-17-6-4-3-5-15(17)24(30(2,27)28)11-13-8-7-12(9-14(13)20)16(25)10-23-19(26)18(21)22;1-27-15-6-4-3-5-14(15)24(29(2,25)26)10-12-8-7-11(9-13(12)19)17-22-23-18(28-17)16(20)21/h3-9,18H,10-11H2,1-2H3,(H,23,26);3-9,16H,10H2,1-2H3.

What are the key properties of 2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide?

2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide has a molecular weight of 871.84 g/mol, XLogP of 6.15, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[2-[3-fluoro-4-[(2-methoxy-N-methylsulfonylanilino)methyl]phenyl]-2-oxoethyl]acetamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(2-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 159900558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).