N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide

C23H24N2O4S — CID 66893620

IUPACN-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc2cc(C3=CN4CCC3CC4)oc12
InChIInChI=1S/C23H24N2O4S/c1-15-6-7-20(28-2)22(12-15)30(26,27)24-19-5-3-4-17-13-21(29-23(17)19)18-14-25-10-8-16(18)9-11-25/h3-7,12-14,16,24H,8-11H2,1-2H3
InChIKeyYAGCWQROBAALFW-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.62
Rot. Bonds5

About N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide

N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 66893620) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID66893620
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc2cc(C3=CN4CCC3CC4)oc12
InChIInChI=1S/C23H24N2O4S/c1-15-6-7-20(28-2)22(12-15)30(26,27)24-19-5-3-4-17-13-21(29-23(17)19)18-14-25-10-8-16(18)9-11-25/h3-7,12-14,16,24H,8-11H2,1-2H3
InChIKeyYAGCWQROBAALFW-UHFFFAOYSA-N
XLogP4.62
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 103098110
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 95969690
2-methoxy-5-methyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 1241942
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 90563552
N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 104821473
2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347501
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 113092763
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 110362804

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide (CID 66893620) is N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccc2cc(C3=CN4CCC3CC4)oc12.
What is the InChIKey of N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is YAGCWQROBAALFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-15-6-7-20(28-2)22(12-15)30(26,27)24-19-5-3-4-17-13-21(29-23(17)19)18-14-25-10-8-16(18)9-11-25/h3-7,12-14,16,24H,8-11H2,1-2H3.
What are the key properties of N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide?
N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 424.52 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1-benzofuran-7-yl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 66893620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).