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

C26H35N3O7S — CID 155511977

IUPACN-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc(-c2cc3c(c(OC[C@H]4CN(C5CCC5)CCO4)c2)COC3)cnc1OC
InChIInChI=1S/C26H35N3O7S/c1-32-8-9-37(30,31)28-24-11-19(13-27-26(24)33-2)18-10-20-15-34-17-23(20)25(12-18)36-16-22-14-29(6-7-35-22)21-4-3-5-21/h10-13,21-22,28H,3-9,14-17H2,1-2H3/t22-/m1/s1
InChIKeyFAFZLPBLAIRXLI-JOCHJYFZSA-N
MW533.65 g/mol
LogP2.81
Rot. Bonds11

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

N-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide (PubChem CID 155511977) has the molecular formula C26H35N3O7S and a molecular weight of 533.65 g/mol. Its IUPAC name is N-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide
PubChem CID155511977
Molecular FormulaC26H35N3O7S
Molecular Weight533.65 g/mol
Exact Mass533.22
IUPAC NameN-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc(-c2cc3c(c(OC[C@H]4CN(C5CCC5)CCO4)c2)COC3)cnc1OC
InChIInChI=1S/C26H35N3O7S/c1-32-8-9-37(30,31)28-24-11-19(13-27-26(24)33-2)18-10-20-15-34-17-23(20)25(12-18)36-16-22-14-29(6-7-35-22)21-4-3-5-21/h10-13,21-22,28H,3-9,14-17H2,1-2H3/t22-/m1/s1
InChIKeyFAFZLPBLAIRXLI-JOCHJYFZSA-N
XLogP2.81
TPSA108.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.65
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide (CID 155511977) is N-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1cc(-c2cc3c(c(OC[C@H]4CN(C5CCC5)CCO4)c2)COC3)cnc1OC.
What is the InChIKey of N-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide?
The InChIKey is FAFZLPBLAIRXLI-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H35N3O7S/c1-32-8-9-37(30,31)28-24-11-19(13-27-26(24)33-2)18-10-20-15-34-17-23(20)25(12-18)36-16-22-14-29(6-7-35-22)21-4-3-5-21/h10-13,21-22,28H,3-9,14-17H2,1-2H3/t22-/m1/s1.
What are the key properties of N-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide?
N-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide has a molecular weight of 533.65 g/mol, XLogP of 2.81, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[[(2R)-4-cyclobutylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 155511977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).