2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid

C19H19NO6S — CID 18351711

IUPAC2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid
SMILESCc1oc2c(OCC(=O)O)cccc2c1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H19NO6S/c1-13-15(10-11-20-27(23,24)14-6-3-2-4-7-14)16-8-5-9-17(19(16)26-13)25-12-18(21)22/h2-9,20H,10-12H2,1H3,(H,21,22)
InChIKeyPVFUPAMCNWZCQY-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.73
Rot. Bonds8

About 2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid

2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid (PubChem CID 18351711) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid
PubChem CID18351711
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Name2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid
SMILESCc1oc2c(OCC(=O)O)cccc2c1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H19NO6S/c1-13-15(10-11-20-27(23,24)14-6-3-2-4-7-14)16-8-5-9-17(19(16)26-13)25-12-18(21)22/h2-9,20H,10-12H2,1H3,(H,21,22)
InChIKeyPVFUPAMCNWZCQY-UHFFFAOYSA-N
XLogP2.73
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[2-(2,2-diphenylethylsulfonylamino)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid
CID 15908545
2-[[3-(methanesulfonamidomethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetic acid;methyl 2-[[3-(methanesulfonamidomethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 91562799
2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 15908539
actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide
CID 20708391
2-[[3-(2-benzhydrylsulfanylethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 18351565
2-[[3-[2-(2,2-diphenylethylsulfonylamino)ethyl]-1-benzofuran-7-yl]oxy]acetic acid
CID 15463516
2-[[2-(hydroxymethyl)-3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetic acid;methyl 2-[[2-(hydroxymethyl)-3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetate
CID 54205343
2-[[3-(acetamidomethyl)-2-propan-2-yl-1-benzofuran-7-yl]oxy]acetic acid
CID 18351708
2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid
CID 19694541
methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate
CID 20708429
3-(2-hydroxyethyl)-2-methyl-1-benzofuran-7-ol;methyl 2-[[3-(2-azidoethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 91305588
3-(2,7-dimethyl-1-benzofuran-3-yl)propanoic acid
CID 83910179

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid?
The IUPAC name of 2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid (CID 18351711) is 2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid?
The canonical SMILES for 2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid is Cc1oc2c(OCC(=O)O)cccc2c1CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid?
The InChIKey is PVFUPAMCNWZCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S/c1-13-15(10-11-20-27(23,24)14-6-3-2-4-7-14)16-8-5-9-17(19(16)26-13)25-12-18(21)22/h2-9,20H,10-12H2,1H3,(H,21,22).
What are the key properties of 2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid?
2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid has a molecular weight of 389.43 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid is sourced from PubChem (CID 18351711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).