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

C41H47F2N7O6S2 — CID 161462313

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

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide (PubChem CID 161462313) has the molecular formula C41H47F2N7O6S2 and a molecular weight of 836.00 g/mol. Its IUPAC name is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide.

Molecular Properties

• Compound Name: N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide
• PubChem CID: 161462313
• Molecular Formula: C41H47F2N7O6S2
• Molecular Weight: 836.00 g/mol
• Exact Mass: 835.30
• IUPAC Name: N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide
• SMILES: NCC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)C2CCCCC2)nc1.O=S(=O)(C1CCCCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccccc1
• InChI: InChI=1S/C21H22F2N4O3S.C20H25N3O3S/c22-19(23)21-26-25-20(30-21)15-11-12-16(24-13-15)14-27(17-7-3-1-4-8-17)31(28,29)18-9-5-2-6-10-18;21-13-20(24)16-11-12-17(22-14-16)15-23(18-7-3-1-4-8-18)27(25,26)19-9-5-2-6-10-19/h1,3-4,7-8,11-13,18-19H,2,5-6,9-10,14H2;1,3-4,7-8,11-12,14,19H,2,5-6,9-10,13,15,21H2
• InChIKey: WBZAGYVFNUDJDR-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 182.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	836.00
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide (CID 161462313) is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide.

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

The canonical SMILES for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide is NCC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)C2CCCCC2)nc1.O=S(=O)(C1CCCCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccccc1.

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

The InChIKey is WBZAGYVFNUDJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3S.C20H25N3O3S/c22-19(23)21-26-25-20(30-21)15-11-12-16(24-13-15)14-27(17-7-3-1-4-8-17)31(28,29)18-9-5-2-6-10-18;21-13-20(24)16-11-12-17(22-14-16)15-23(18-7-3-1-4-8-18)27(25,26)19-9-5-2-6-10-19/h1,3-4,7-8,11-13,18-19H,2,5-6,9-10,14H2;1,3-4,7-8,11-12,14,19H,2,5-6,9-10,13,15,21H2.

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

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide has a molecular weight of 836.00 g/mol, XLogP of 7.63, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide is sourced from PubChem (CID 161462313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).