N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide

C45H59F2N11O10S4 — CID 158268024

About N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide (PubChem CID 158268024) has the molecular formula C45H59F2N11O10S4 and a molecular weight of 1080.30 g/mol. Its IUPAC name is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide.

Molecular Properties

• Compound Name: N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide
• PubChem CID: 158268024
• Molecular Formula: C45H59F2N11O10S4
• Molecular Weight: 1080.30 g/mol
• Exact Mass: 1079.33
• IUPAC Name: N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide
• SMILES: CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1.CCS(=O)(=O)N(Cc1ccc(C(=O)CN)cn1)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1
• InChI: InChI=1S/C23H28F2N6O5S2.C22H31N5O5S2/c1-3-38(34,35)31(16-19-7-6-18(14-26-19)22-27-28-23(36-22)21(24)25)20-8-4-17(5-9-20)15-29-10-12-30(13-11-29)37(2,32)33;1-3-34(31,32)27(17-20-7-6-19(15-24-20)22(28)14-23)21-8-4-18(5-9-21)16-25-10-12-26(13-11-25)33(2,29)30/h4-9,14,21H,3,10-13,15-16H2,1-2H3;4-9,15H,3,10-14,16-17,23H2,1-2H3
• InChIKey: GIRQNHDMSHJPTR-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 263.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1080.30
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide?

The IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide (CID 158268024) is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide.

What is the SMILES notation for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide?

The canonical SMILES for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1.CCS(=O)(=O)N(Cc1ccc(C(=O)CN)cn1)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1.

What is the InChIKey of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide?

The InChIKey is GIRQNHDMSHJPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N6O5S2.C22H31N5O5S2/c1-3-38(34,35)31(16-19-7-6-18(14-26-19)22-27-28-23(36-22)21(24)25)20-8-4-17(5-9-20)15-29-10-12-30(13-11-29)37(2,32)33;1-3-34(31,32)27(17-20-7-6-19(15-24-20)22(28)14-23)21-8-4-18(5-9-21)16-25-10-12-26(13-11-25)33(2,29)30/h4-9,14,21H,3,10-13,15-16H2,1-2H3;4-9,15H,3,10-14,16-17,23H2,1-2H3.

What are the key properties of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide?

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide has a molecular weight of 1080.30 g/mol, XLogP of 3.16, 20 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 158268024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).