ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate

C14H20N2O6S — CID 8500965

IUPACethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H20N2O6S/c1-5-21-12(17)10-6-8-11(9-7-10)23(19,20)16-15-13(18)22-14(2,3)4/h6-9,16H,5H2,1-4H3,(H,15,18)
InChIKeyFYOVLCXFXOYHNH-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.58
Rot. Bonds5

About ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate

ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate (PubChem CID 8500965) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate
PubChem CID8500965
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Nameethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H20N2O6S/c1-5-21-12(17)10-6-8-11(9-7-10)23(19,20)16-15-13(18)22-14(2,3)4/h6-9,16H,5H2,1-4H3,(H,15,18)
InChIKeyFYOVLCXFXOYHNH-UHFFFAOYSA-N
XLogP1.58
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.58
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

ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate
CID 8615778
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673
tert-butyl N-[(3,4-dichlorophenyl)sulfonylamino]carbamate
CID 8500952
ethyl 3-bromo-4-[(methoxycarbonylamino)sulfamoyl]benzoate
CID 35507607
ethyl 4-[(adamantane-1-carbonylamino)sulfamoyl]benzoate
CID 4248662
ethyl 4-[4-(carbamoylsulfamoyl)phenyl]benzoate
CID 110453940
tert-butyl N-[(3-aminophenyl)sulfonylamino]carbamate
CID 59912049
ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoylamino]methyl]benzoate
CID 108864585
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate
CID 115992104
tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
CID 8500975

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate (CID 8500965) is ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate?
The InChIKey is FYOVLCXFXOYHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-5-21-12(17)10-6-8-11(9-7-10)23(19,20)16-15-13(18)22-14(2,3)4/h6-9,16H,5H2,1-4H3,(H,15,18).
What are the key properties of ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate?
ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate has a molecular weight of 344.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate is sourced from PubChem (CID 8500965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).