N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide

C21H27N3O6S — CID 155541900

About N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 155541900) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide
• PubChem CID: 155541900
• Molecular Formula: C21H27N3O6S
• Molecular Weight: 449.53 g/mol
• Exact Mass: 449.16
• IUPAC Name: N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide
• SMILES: COc1ncc(-c2cc3c(c(OC[C@H]4CN(C)CCO4)c2)COC3)cc1NS(C)(=O)=O
• InChI: InChI=1S/C21H27N3O6S/c1-24-4-5-29-17(10-24)12-30-20-8-14(6-16-11-28-13-18(16)20)15-7-19(23-31(3,25)26)21(27-2)22-9-15/h6-9,17,23H,4-5,10-13H2,1-3H3/t17-/m1/s1
• InChIKey: LAKNCFVOLBSBLJ-QGZVFWFLSA-N
• XLogP: 1.87
• TPSA: 99.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide (CID 155541900) is N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide?

The canonical SMILES for N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-c2cc3c(c(OC[C@H]4CN(C)CCO4)c2)COC3)cc1NS(C)(=O)=O.

What is the InChIKey of N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide?

The InChIKey is LAKNCFVOLBSBLJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-24-4-5-29-17(10-24)12-30-20-8-14(6-16-11-28-13-18(16)20)15-7-19(23-31(3,25)26)21(27-2)22-9-15/h6-9,17,23H,4-5,10-13H2,1-3H3/t17-/m1/s1.

What are the key properties of N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide?

N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 449.53 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 155541900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).