ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate

C13H18N2O5S — CID 60812284

IUPACethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)OCC)cc1
InChIInChI=1S/C13H18N2O5S/c1-3-15-21(18,19)11-7-5-10(6-8-11)13(17)14-9-12(16)20-4-2/h5-8,15H,3-4,9H2,1-2H3,(H,14,17)
InChIKeyYGIOZTHGQBPWHM-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.28
Rot. Bonds7

About ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate

ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate (PubChem CID 60812284) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate
PubChem CID60812284
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Nameethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)OCC)cc1
InChIInChI=1S/C13H18N2O5S/c1-3-15-21(18,19)11-7-5-10(6-8-11)13(17)14-9-12(16)20-4-2/h5-8,15H,3-4,9H2,1-2H3,(H,14,17)
InChIKeyYGIOZTHGQBPWHM-UHFFFAOYSA-N
XLogP0.28
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 26532746
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
CID 46432829
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790
ethyl 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]acetate
CID 54921028
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate (CID 60812284) is ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate is CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is YGIOZTHGQBPWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-3-15-21(18,19)11-7-5-10(6-8-11)13(17)14-9-12(16)20-4-2/h5-8,15H,3-4,9H2,1-2H3,(H,14,17).
What are the key properties of ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate?
ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 314.36 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 60812284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).