N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide

C26H30N4O7S — CID 66736876

About N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide

N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide (PubChem CID 66736876) has the molecular formula C26H30N4O7S and a molecular weight of 542.61 g/mol. Its IUPAC name is N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide
• PubChem CID: 66736876
• Molecular Formula: C26H30N4O7S
• Molecular Weight: 542.61 g/mol
• Exact Mass: 542.18
• IUPAC Name: N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide
• SMILES: COc1ccc2nccc(CC[C@H](CC[C@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)NS(C)(=O)=O)c2n1
• InChI: InChI=1S/C26H30N4O7S/c1-34-24-10-8-21-25(28-24)17(11-12-27-21)3-4-18(29-38(2,32)33)5-7-20-16-30(26(31)37-20)19-6-9-22-23(15-19)36-14-13-35-22/h6,8-12,15,18,20,29H,3-5,7,13-14,16H2,1-2H3/t18-,20+/m1/s1
• InChIKey: BSMPWPREMUAWOE-QUCCMNQESA-N
• XLogP: 3.07
• TPSA: 129.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.61
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide?

The IUPAC name of N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide (CID 66736876) is N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide.

What is the SMILES notation for N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide?

The canonical SMILES for N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide is COc1ccc2nccc(CC[C@H](CC[C@H]3CN(c4ccc5c(c4)OCCO5)C(=O)O3)NS(C)(=O)=O)c2n1.

What is the InChIKey of N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide?

The InChIKey is BSMPWPREMUAWOE-QUCCMNQESA-N. The full InChI is InChI=1S/C26H30N4O7S/c1-34-24-10-8-21-25(28-24)17(11-12-27-21)3-4-18(29-38(2,32)33)5-7-20-16-30(26(31)37-20)19-6-9-22-23(15-19)36-14-13-35-22/h6,8-12,15,18,20,29H,3-5,7,13-14,16H2,1-2H3/t18-,20+/m1/s1.

What are the key properties of N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide?

N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide has a molecular weight of 542.61 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide is sourced from PubChem (CID 66736876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).