N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide

C21H26N4O6S — CID 134957362

IUPACN-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide
SMILESCOc1ncc(-c2cc3c(c(NC(=O)CN4CCOCC4)c2)COC3)cc1NS(C)(=O)=O
InChIInChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
InChIKeyINNGAVFDQLSCJJ-UHFFFAOYSA-N
MW462.53 g/mol
LogP1.43
Rot. Bonds7

About N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide

N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide (PubChem CID 134957362) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide
PubChem CID134957362
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC NameN-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide
SMILESCOc1ncc(-c2cc3c(c(NC(=O)CN4CCOCC4)c2)COC3)cc1NS(C)(=O)=O
InChIInChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
InChIKeyINNGAVFDQLSCJJ-UHFFFAOYSA-N
XLogP1.43
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide (CID 134957362) is N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide is COc1ncc(-c2cc3c(c(NC(=O)CN4CCOCC4)c2)COC3)cc1NS(C)(=O)=O.
What is the InChIKey of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide?
The InChIKey is INNGAVFDQLSCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26).
What are the key properties of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide?
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide has a molecular weight of 462.53 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 134957362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).