N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C25H33N5O6S — CID 91918983

About N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 91918983) has the molecular formula C25H33N5O6S and a molecular weight of 531.64 g/mol. Its IUPAC name is N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
• PubChem CID: 91918983
• Molecular Formula: C25H33N5O6S
• Molecular Weight: 531.64 g/mol
• Exact Mass: 531.22
• IUPAC Name: N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
• SMILES: CN(CC(=O)N1CCCC(Cc2nc(C3CCOCC3)no2)C1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
• InChI: InChI=1S/C25H33N5O6S/c1-29(37(33,34)20-5-6-21-19(14-20)4-7-22(31)26-21)16-24(32)30-10-2-3-17(15-30)13-23-27-25(28-36-23)18-8-11-35-12-9-18/h5-6,14,17-18H,2-4,7-13,15-16H2,1H3,(H,26,31)
• InChIKey: YXGHDNKTFQKRJP-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 134.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.64
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

The IUPAC name of N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 91918983) is N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

What is the SMILES notation for N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

The canonical SMILES for N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is CN(CC(=O)N1CCCC(Cc2nc(C3CCOCC3)no2)C1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2.

What is the InChIKey of N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

The InChIKey is YXGHDNKTFQKRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O6S/c1-29(37(33,34)20-5-6-21-19(14-20)4-7-22(31)26-21)16-24(32)30-10-2-3-17(15-30)13-23-27-25(28-36-23)18-8-11-35-12-9-18/h5-6,14,17-18H,2-4,7-13,15-16H2,1H3,(H,26,31).

What are the key properties of N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 531.64 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 91918983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).