N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C24H33N3O5S — CID 155526097

IUPACN-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2cc(CCCN3C[C@@H](C)O[C@@H](C)C3)c3c(c2)COC3)cc1NS(C)(=O)=O
InChIInChI=1S/C24H33N3O5S/c1-16-12-27(13-17(2)32-16)7-5-6-18-8-19(9-21-14-31-15-22(18)21)20-10-23(26-33(4,28)29)24(30-3)25-11-20/h8-11,16-17,26H,5-7,12-15H2,1-4H3/t16-,17+
InChIKeySTEAIIFDOKDEOW-CALCHBBNSA-N
MW475.61 g/mol
LogP3.20
Rot. Bonds8

About N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 155526097) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID155526097
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC NameN-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2cc(CCCN3C[C@@H](C)O[C@@H](C)C3)c3c(c2)COC3)cc1NS(C)(=O)=O
InChIInChI=1S/C24H33N3O5S/c1-16-12-27(13-17(2)32-16)7-5-6-18-8-19(9-21-14-31-15-22(18)21)20-10-23(26-33(4,28)29)24(30-3)25-11-20/h8-11,16-17,26H,5-7,12-15H2,1-4H3/t16-,17+
InChIKeySTEAIIFDOKDEOW-CALCHBBNSA-N
XLogP3.20
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 155526097) is N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2cc(CCCN3C[C@@H](C)O[C@@H](C)C3)c3c(c2)COC3)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is STEAIIFDOKDEOW-CALCHBBNSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-16-12-27(13-17(2)32-16)7-5-6-18-8-19(9-21-14-31-15-22(18)21)20-10-23(26-33(4,28)29)24(30-3)25-11-20/h8-11,16-17,26H,5-7,12-15H2,1-4H3/t16-,17+.
What are the key properties of N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 475.61 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 155526097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).