methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate

C20H18N2O6S — CID 25335107

IUPACmethyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C20H18N2O6S/c1-13-8-9-14(20(24)27-2)11-18(13)29(25,26)22-16-6-3-5-15(12-16)21-19(23)17-7-4-10-28-17/h3-12,22H,1-2H3,(H,21,23)
InChIKeyHWFJTOOYADHEDL-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.43
Rot. Bonds6

About methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate

methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate (PubChem CID 25335107) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate
PubChem CID25335107
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC Namemethyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C20H18N2O6S/c1-13-8-9-14(20(24)27-2)11-18(13)29(25,26)22-16-6-3-5-15(12-16)21-19(23)17-7-4-10-28-17/h3-12,22H,1-2H3,(H,21,23)
InChIKeyHWFJTOOYADHEDL-UHFFFAOYSA-N
XLogP3.43
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 24621973
N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9479404
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886837
dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
CID 711226
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35506738
methyl 3-(furan-2-carbonylcarbamoylamino)benzoate
CID 2806361
5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide
CID 2107998
N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18206661
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide
CID 30474795
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate?
The IUPAC name of methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate (CID 25335107) is methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate is COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1.
What is the InChIKey of methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate?
The InChIKey is HWFJTOOYADHEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c1-13-8-9-14(20(24)27-2)11-18(13)29(25,26)22-16-6-3-5-15(12-16)21-19(23)17-7-4-10-28-17/h3-12,22H,1-2H3,(H,21,23).
What are the key properties of methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate?
methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate has a molecular weight of 414.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate is sourced from PubChem (CID 25335107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).