furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate

C20H19NO6S — CID 2683151

IUPACfuran-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3ccco3)c2)cc1
InChIInChI=1S/C20H19NO6S/c1-21(16-8-10-17(25-2)11-9-16)28(23,24)19-7-3-5-15(13-19)20(22)27-14-18-6-4-12-26-18/h3-13H,14H2,1-2H3
InChIKeyJNMKXJRBOQHSRQ-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.47
Rot. Bonds7

About furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate

furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 2683151) has the molecular formula C20H19NO6S and a molecular weight of 401.44 g/mol. Its IUPAC name is furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Namefuran-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID2683151
Molecular FormulaC20H19NO6S
Molecular Weight401.44 g/mol
Exact Mass401.09
IUPAC Namefuran-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3ccco3)c2)cc1
InChIInChI=1S/C20H19NO6S/c1-21(16-8-10-17(25-2)11-9-16)28(23,24)19-7-3-5-15(13-19)20(22)27-14-18-6-4-12-26-18/h3-13H,14H2,1-2H3
InChIKeyJNMKXJRBOQHSRQ-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 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
(6-chloro-3-pyridinyl)methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 31048298
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 16596864
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2586329
imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 55317319
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
(3-methylphenyl) 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 7901124
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2574935

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (CID 2683151) is furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3ccco3)c2)cc1.
What is the InChIKey of furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is JNMKXJRBOQHSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S/c1-21(16-8-10-17(25-2)11-9-16)28(23,24)19-7-3-5-15(13-19)20(22)27-14-18-6-4-12-26-18/h3-13H,14H2,1-2H3.
What are the key properties of furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate 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 furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 2683151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).