methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate

C23H19N3O6S — CID 42247339

IUPACmethyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccco2)cc(NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C23H19N3O6S/c1-31-23(28)17-11-15(14-25-22(27)19-7-4-10-32-19)12-18(13-17)26-33(29,30)20-8-2-5-16-6-3-9-24-21(16)20/h2-13,26H,14H2,1H3,(H,25,27)
InChIKeyLCIBJRFOMKWEAJ-UHFFFAOYSA-N
MW465.49 g/mol
LogP3.35
Rot. Bonds7

About methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate

methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate (PubChem CID 42247339) has the molecular formula C23H19N3O6S and a molecular weight of 465.49 g/mol. Its IUPAC name is methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate
PubChem CID42247339
Molecular FormulaC23H19N3O6S
Molecular Weight465.49 g/mol
Exact Mass465.10
IUPAC Namemethyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccco2)cc(NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C23H19N3O6S/c1-31-23(28)17-11-15(14-25-22(27)19-7-4-10-32-19)12-18(13-17)26-33(29,30)20-8-2-5-16-6-3-9-24-21(16)20/h2-13,26H,14H2,1H3,(H,25,27)
InChIKeyLCIBJRFOMKWEAJ-UHFFFAOYSA-N
XLogP3.35
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate with MolForge

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Related Compounds

methyl 3-[[(2-methylbenzoyl)amino]methyl]-5-(quinolin-8-ylsulfonylamino)benzoate
CID 42472630
methyl 3-(benzamidomethyl)-5-[(2-chlorophenyl)sulfonylamino]benzoate
CID 42276717
dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate
CID 4685658
dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
CID 4198827
methyl (2S,3R)-2-(benzylamino)-3-(furan-2-yl)-3-(quinolin-8-ylsulfonylamino)propanoate
CID 102027683
methyl 3-(furan-2-carbonylamino)-5-[[(2-methoxybenzoyl)amino]methyl]benzoate
CID 26332211
methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 7339253
methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3819625
dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 24621973
methyl 3-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]-5-(furan-2-carbonylamino)benzoate
CID 42370507
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
CID 711226

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate?
The IUPAC name of methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate (CID 42247339) is methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate.
What is the SMILES notation for methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate?
The canonical SMILES for methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate is COC(=O)c1cc(CNC(=O)c2ccco2)cc(NS(=O)(=O)c2cccc3cccnc23)c1.
What is the InChIKey of methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate?
The InChIKey is LCIBJRFOMKWEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O6S/c1-31-23(28)17-11-15(14-25-22(27)19-7-4-10-32-19)12-18(13-17)26-33(29,30)20-8-2-5-16-6-3-9-24-21(16)20/h2-13,26H,14H2,1H3,(H,25,27).
What are the key properties of methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate?
methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate has a molecular weight of 465.49 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(furan-2-carbonylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate is sourced from PubChem (CID 42247339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).