2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide

C25H33N3O8S — CID 155519830

IUPAC2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc(-c2cc3c(c(OC[C@@H]4CN(C5COC5)CCO4)c2)COC3)cnc1OC
InChIInChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m0/s1
InChIKeyZWPJBXLFZFLGMV-NRFANRHFSA-N
MW535.62 g/mol
LogP1.65
Rot. Bonds11

About 2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide

2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide (PubChem CID 155519830) has the molecular formula C25H33N3O8S and a molecular weight of 535.62 g/mol. Its IUPAC name is 2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide
PubChem CID155519830
Molecular FormulaC25H33N3O8S
Molecular Weight535.62 g/mol
Exact Mass535.20
IUPAC Name2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc(-c2cc3c(c(OC[C@@H]4CN(C5COC5)CCO4)c2)COC3)cnc1OC
InChIInChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m0/s1
InChIKeyZWPJBXLFZFLGMV-NRFANRHFSA-N
XLogP1.65
TPSA117.68 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.62
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide (CID 155519830) is 2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide is COCCS(=O)(=O)Nc1cc(-c2cc3c(c(OC[C@@H]4CN(C5COC5)CCO4)c2)COC3)cnc1OC.
What is the InChIKey of 2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide?
The InChIKey is ZWPJBXLFZFLGMV-NRFANRHFSA-N. The full InChI is InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m0/s1.
What are the key properties of 2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide?
2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide has a molecular weight of 535.62 g/mol, XLogP of 1.65, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-methoxy-5-[7-[[(2S)-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 155519830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).