ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate

C15H16N2O6S — CID 8615778

IUPACethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccoc2C)cc1
InChIInChI=1S/C15H16N2O6S/c1-3-22-15(19)11-4-6-12(7-5-11)24(20,21)17-16-14(18)13-8-9-23-10(13)2/h4-9,17H,3H2,1-2H3,(H,16,18)
InChIKeyMUERWHOYGPIHRS-UHFFFAOYSA-N
MW352.37 g/mol
LogP1.39
Rot. Bonds6

About ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate

ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate (PubChem CID 8615778) has the molecular formula C15H16N2O6S and a molecular weight of 352.37 g/mol. Its IUPAC name is ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate
PubChem CID8615778
Molecular FormulaC15H16N2O6S
Molecular Weight352.37 g/mol
Exact Mass352.07
IUPAC Nameethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccoc2C)cc1
InChIInChI=1S/C15H16N2O6S/c1-3-22-15(19)11-4-6-12(7-5-11)24(20,21)17-16-14(18)13-8-9-23-10(13)2/h4-9,17H,3H2,1-2H3,(H,16,18)
InChIKeyMUERWHOYGPIHRS-UHFFFAOYSA-N
XLogP1.39
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide
CID 807989
ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate
CID 8500965
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46510748
2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide
CID 8615831
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
2-methyl-N'-[3-(trifluoromethoxy)phenyl]sulfonylfuran-3-carbohydrazide
CID 24662232
ethyl 4-[(adamantane-1-carbonylamino)sulfamoyl]benzoate
CID 4248662
2-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylfuran-3-carbohydrazide
CID 8823087
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2163924
ethyl 4-[4-(carbamoylsulfamoyl)phenyl]benzoate
CID 110453940
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate (CID 8615778) is ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccoc2C)cc1.
What is the InChIKey of ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate?
The InChIKey is MUERWHOYGPIHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S/c1-3-22-15(19)11-4-6-12(7-5-11)24(20,21)17-16-14(18)13-8-9-23-10(13)2/h4-9,17H,3H2,1-2H3,(H,16,18).
What are the key properties of ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate?
ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate has a molecular weight of 352.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate is sourced from PubChem (CID 8615778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).