acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide

C24H30F2N6O3S — CID 145239715

About acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide

acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide (PubChem CID 145239715) has the molecular formula C24H30F2N6O3S and a molecular weight of 520.61 g/mol. Its IUPAC name is acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide.

Molecular Properties

• Compound Name: acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide
• PubChem CID: 145239715
• Molecular Formula: C24H30F2N6O3S
• Molecular Weight: 520.61 g/mol
• Exact Mass: 520.21
• IUPAC Name: acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide
• SMILES: CC1CN(S(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccccc2)CC(C)N1C.CC=O
• InChI: InChI=1S/C22H26F2N6O2S.C2H4O/c1-15-12-29(13-16(2)28(15)3)33(31)30(19-7-5-4-6-8-19)14-18-10-9-17(11-25-18)21-26-27-22(32-21)20(23)24;1-2-3/h4-11,15-16,20H,12-14H2,1-3H3;2H,1H3
• InChIKey: HNJIJOZYQDQXKT-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 95.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.61
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide (CID 145239715) is acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide.

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

The canonical SMILES for acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide is CC1CN(S(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccccc2)CC(C)N1C.CC=O.

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

The InChIKey is HNJIJOZYQDQXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N6O2S.C2H4O/c1-15-12-29(13-16(2)28(15)3)33(31)30(19-7-5-4-6-8-19)14-18-10-9-17(11-25-18)21-26-27-22(32-21)20(23)24;1-2-3/h4-11,15-16,20H,12-14H2,1-3H3;2H,1H3.

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

acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide has a molecular weight of 520.61 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide is sourced from PubChem (CID 145239715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).