methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate

C20H19NO6S — CID 2671799

IUPACmethyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C20H19NO6S/c1-25-18-11-7-6-10-17(18)21(28(23,24)16-8-4-3-5-9-16)14-15-12-13-19(27-15)20(22)26-2/h3-13H,14H2,1-2H3
InChIKeyKILLGVPJLHBZQY-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.47
Rot. Bonds7

About methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate

methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate (PubChem CID 2671799) has the molecular formula C20H19NO6S and a molecular weight of 401.44 g/mol. Its IUPAC name is methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate
PubChem CID2671799
Molecular FormulaC20H19NO6S
Molecular Weight401.44 g/mol
Exact Mass401.09
IUPAC Namemethyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C20H19NO6S/c1-25-18-11-7-6-10-17(18)21(28(23,24)16-8-4-3-5-9-16)14-15-12-13-19(27-15)20(22)26-2/h3-13H,14H2,1-2H3
InChIKeyKILLGVPJLHBZQY-UHFFFAOYSA-N
XLogP3.47
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)methyl]-3-methylfuran-2-carboxylate
CID 38829000
3-[N-(benzenesulfonyl)-2-methoxyanilino]propanoic acid
CID 50891113
methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate
CID 60572966
4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide
CID 100591343
methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
CID 2587918
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate
CID 2668410
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1336294
methyl 5-(benzylsulfonylmethyl)furan-2-carboxylate
CID 127244389
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1278367
methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate
CID 2695484
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-butylacetamide
CID 126143488

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate (CID 2671799) is methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)o1.
What is the InChIKey of methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate?
The InChIKey is KILLGVPJLHBZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S/c1-25-18-11-7-6-10-17(18)21(28(23,24)16-8-4-3-5-9-16)14-15-12-13-19(27-15)20(22)26-2/h3-13H,14H2,1-2H3.
What are the key properties of methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate?
methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate has a molecular weight of 401.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate is sourced from PubChem (CID 2671799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).