[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate

C14H18N2O5S — CID 40571054

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H18N2O5S/c1-2-15-22(19,20)12-7-3-10(4-8-12)14(18)21-9-13(17)16-11-5-6-11/h3-4,7-8,11,15H,2,5-6,9H2,1H3,(H,16,17)
InChIKeyWJLOADZYXUZDMI-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.42
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate

[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate (PubChem CID 40571054) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
PubChem CID40571054
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H18N2O5S/c1-2-15-22(19,20)12-7-3-10(4-8-12)14(18)21-9-13(17)16-11-5-6-11/h3-4,7-8,11,15H,2,5-6,9H2,1H3,(H,16,17)
InChIKeyWJLOADZYXUZDMI-UHFFFAOYSA-N
XLogP0.42
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 11917240
[2-(cyclopentylamino)-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate
CID 7828443
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
CID 7828149
[2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
CID 7828322
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-(ethylsulfamoyl)benzoate
CID 7828186
[2-(cyclopropylamino)-2-oxoethyl] 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoate
CID 4829065
[2-(cyclopropylamino)-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate
CID 7880470
[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828175
[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
[2-(butylamino)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 30810938
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate
CID 8641481
[2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate
CID 8954643

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate (CID 40571054) is [2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CC2)cc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
The InChIKey is WJLOADZYXUZDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-2-15-22(19,20)12-7-3-10(4-8-12)14(18)21-9-13(17)16-11-5-6-11/h3-4,7-8,11,15H,2,5-6,9H2,1H3,(H,16,17).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate has a molecular weight of 326.37 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 40571054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).