ethyl 2-(2-benzamidoethylsulfonylamino)acetate

C13H18N2O5S — CID 7600976

IUPACethyl 2-(2-benzamidoethylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O5S/c1-2-20-12(16)10-15-21(18,19)9-8-14-13(17)11-6-4-3-5-7-11/h3-7,15H,2,8-10H2,1H3,(H,14,17)
InChIKeyIMJLEEFMTBJIAJ-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.10
Rot. Bonds8

About ethyl 2-(2-benzamidoethylsulfonylamino)acetate

ethyl 2-(2-benzamidoethylsulfonylamino)acetate (PubChem CID 7600976) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is ethyl 2-(2-benzamidoethylsulfonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-benzamidoethylsulfonylamino)acetate
PubChem CID7600976
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Nameethyl 2-(2-benzamidoethylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O5S/c1-2-20-12(16)10-15-21(18,19)9-8-14-13(17)11-6-4-3-5-7-11/h3-7,15H,2,8-10H2,1H3,(H,14,17)
InChIKeyIMJLEEFMTBJIAJ-UHFFFAOYSA-N
XLogP-0.10
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate
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N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]benzamide
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(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate
CID 60812284
4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332797
3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide
CID 106332827
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
ethyl 2-[(3-carbamothioylphenyl)methylsulfonylamino]acetate
CID 61000145
N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345058

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-benzamidoethylsulfonylamino)acetate?
The IUPAC name of ethyl 2-(2-benzamidoethylsulfonylamino)acetate (CID 7600976) is ethyl 2-(2-benzamidoethylsulfonylamino)acetate.
What is the SMILES notation for ethyl 2-(2-benzamidoethylsulfonylamino)acetate?
The canonical SMILES for ethyl 2-(2-benzamidoethylsulfonylamino)acetate is CCOC(=O)CNS(=O)(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(2-benzamidoethylsulfonylamino)acetate?
The InChIKey is IMJLEEFMTBJIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-2-20-12(16)10-15-21(18,19)9-8-14-13(17)11-6-4-3-5-7-11/h3-7,15H,2,8-10H2,1H3,(H,14,17).
What are the key properties of ethyl 2-(2-benzamidoethylsulfonylamino)acetate?
ethyl 2-(2-benzamidoethylsulfonylamino)acetate has a molecular weight of 314.36 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-benzamidoethylsulfonylamino)acetate is sourced from PubChem (CID 7600976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).