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

C23H31N3O6S — CID 155523246

IUPACN-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2cc3c(c(OCCN4C[C@@H](C)O[C@@H](C)C4)c2)COC3)cc1NS(C)(=O)=O
InChIInChI=1S/C23H31N3O6S/c1-15-11-26(12-16(2)32-15)5-6-31-22-9-17(7-19-13-30-14-20(19)22)18-8-21(25-33(4,27)28)23(29-3)24-10-18/h7-10,15-16,25H,5-6,11-14H2,1-4H3/t15-,16+
InChIKeySJSJWQRNGIEJLC-IYBDPMFKSA-N
MW477.58 g/mol
LogP2.65
Rot. Bonds8

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

N-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 155523246) has the molecular formula C23H31N3O6S and a molecular weight of 477.58 g/mol. Its IUPAC name is N-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID155523246
Molecular FormulaC23H31N3O6S
Molecular Weight477.58 g/mol
Exact Mass477.19
IUPAC NameN-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2cc3c(c(OCCN4C[C@@H](C)O[C@@H](C)C4)c2)COC3)cc1NS(C)(=O)=O
InChIInChI=1S/C23H31N3O6S/c1-15-11-26(12-16(2)32-15)5-6-31-22-9-17(7-19-13-30-14-20(19)22)18-8-21(25-33(4,27)28)23(29-3)24-10-18/h7-10,15-16,25H,5-6,11-14H2,1-4H3/t15-,16+
InChIKeySJSJWQRNGIEJLC-IYBDPMFKSA-N
XLogP2.65
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-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-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 155523246) is N-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2cc3c(c(OCCN4C[C@@H](C)O[C@@H](C)C4)c2)COC3)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is SJSJWQRNGIEJLC-IYBDPMFKSA-N. The full InChI is InChI=1S/C23H31N3O6S/c1-15-11-26(12-16(2)32-15)5-6-31-22-9-17(7-19-13-30-14-20(19)22)18-8-21(25-33(4,27)28)23(29-3)24-10-18/h7-10,15-16,25H,5-6,11-14H2,1-4H3/t15-,16+.
What are the key properties of N-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 477.58 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 155523246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).