methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate

C24H23NO7S — CID 1326813

IUPACmethyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate
SMILESCCOc1ccc(S(=O)(=O)Nc2cc3c(C(=O)OC)c(COC)oc3c3ccccc23)cc1
InChIInChI=1S/C24H23NO7S/c1-4-31-15-9-11-16(12-10-15)33(27,28)25-20-13-19-22(24(26)30-3)21(14-29-2)32-23(19)18-8-6-5-7-17(18)20/h5-13,25H,4,14H2,1-3H3
InChIKeyKECZSVGIDPRYQA-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.72
Rot. Bonds8

About methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate

methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate (PubChem CID 1326813) has the molecular formula C24H23NO7S and a molecular weight of 469.52 g/mol. Its IUPAC name is methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate
PubChem CID1326813
Molecular FormulaC24H23NO7S
Molecular Weight469.52 g/mol
Exact Mass469.12
IUPAC Namemethyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate
SMILESCCOc1ccc(S(=O)(=O)Nc2cc3c(C(=O)OC)c(COC)oc3c3ccccc23)cc1
InChIInChI=1S/C24H23NO7S/c1-4-31-15-9-11-16(12-10-15)33(27,28)25-20-13-19-22(24(26)30-3)21(14-29-2)32-23(19)18-8-6-5-7-17(18)20/h5-13,25H,4,14H2,1-3H3
InChIKeyKECZSVGIDPRYQA-UHFFFAOYSA-N
XLogP4.72
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 16761798
methyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
CID 2486172
N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-ethylbenzenesulfonamide
CID 1105992
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 5000421
ethyl 5-(benzenesulfonamido)-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 1490255
4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]benzenesulfonamide
CID 119057445
2-[1,4-bis[(4-ethoxyphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 134141598
methyl 3-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzoate
CID 894262
4-methoxy-N-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
CID 7014182
propan-2-yl 2-[4-[(4-ethoxyphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]-4,4,4-trifluoro-3-oxobutanoate
CID 3303024
5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 7574180
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate?
The IUPAC name of methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate (CID 1326813) is methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate?
The canonical SMILES for methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate is CCOc1ccc(S(=O)(=O)Nc2cc3c(C(=O)OC)c(COC)oc3c3ccccc23)cc1.
What is the InChIKey of methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate?
The InChIKey is KECZSVGIDPRYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO7S/c1-4-31-15-9-11-16(12-10-15)33(27,28)25-20-13-19-22(24(26)30-3)21(14-29-2)32-23(19)18-8-6-5-7-17(18)20/h5-13,25H,4,14H2,1-3H3.
What are the key properties of methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate?
methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate has a molecular weight of 469.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-(methoxymethyl)benzo[g][1]benzofuran-3-carboxylate is sourced from PubChem (CID 1326813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).