2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid

C24H23NO7S — CID 18984922

IUPAC2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid
SMILESCOC1CC2Oc3c(OCC(=O)O)cccc3C2C1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H23NO7S/c1-30-20-12-19-22(17-7-4-8-18(24(17)32-19)31-13-21(26)27)23(20)25-33(28,29)16-10-9-14-5-2-3-6-15(14)11-16/h2-11,19-20,22-23,25H,12-13H2,1H3,(H,26,27)
InChIKeyCRVCAMLXFWQNGF-UHFFFAOYSA-N
MW469.52 g/mol
LogP2.91
Rot. Bonds7

About 2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid

2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid (PubChem CID 18984922) has the molecular formula C24H23NO7S and a molecular weight of 469.52 g/mol. Its IUPAC name is 2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid
PubChem CID18984922
Molecular FormulaC24H23NO7S
Molecular Weight469.52 g/mol
Exact Mass469.12
IUPAC Name2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid
SMILESCOC1CC2Oc3c(OCC(=O)O)cccc3C2C1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H23NO7S/c1-30-20-12-19-22(17-7-4-8-18(24(17)32-19)31-13-21(26)27)23(20)25-33(28,29)16-10-9-14-5-2-3-6-15(14)11-16/h2-11,19-20,22-23,25H,12-13H2,1H3,(H,26,27)
InChIKeyCRVCAMLXFWQNGF-UHFFFAOYSA-N
XLogP2.91
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid with MolForge

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Related Compounds

2-[[1-[(4-iodophenyl)sulfonylamino]-2-methoxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid
CID 18984917
2-[[1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid
CID 18984932
2-[[(8bS)-1-(benzenesulfonamido)-2-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid
CID 67670056
2-[[(1R,2R,3aS,8bR)-1-(benzenesulfonamido)-2-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid
CID 154481673
2-[[1-[(3-chloro-4-phenoxyphenyl)sulfonylamino]-2-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid
CID 18985020
2-[[1-[(3-methoxyphenyl)sulfonylamino]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid
CID 18985061
2-[[2-hydroxy-1-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid
CID 18984847
2-[[1-[(3-methylphenyl)sulfonylamino]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid
CID 67667659
2-[[2-hydroxy-1-(pentylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid
CID 54383314
2-[[1-(benzenesulfonamido)-2-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]-2-methylpropanoic acid
CID 139903774
methyl (1S,2S,3aR,8bS)-1-(benzenesulfonamido)-2-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-carboxylate
CID 139903794
N-(2,5-dihydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-1-yl)benzenesulfonamide
CID 77333168

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid (CID 18984922) is 2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid is COC1CC2Oc3c(OCC(=O)O)cccc3C2C1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid?
The InChIKey is CRVCAMLXFWQNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO7S/c1-30-20-12-19-22(17-7-4-8-18(24(17)32-19)31-13-21(26)27)23(20)25-33(28,29)16-10-9-14-5-2-3-6-15(14)11-16/h2-11,19-20,22-23,25H,12-13H2,1H3,(H,26,27).
What are the key properties of 2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid?
2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid has a molecular weight of 469.52 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-1-(naphthalen-2-ylsulfonylamino)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]oxy]acetic acid is sourced from PubChem (CID 18984922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).