ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate

C11H16N2O3S — CID 43445634

IUPACethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-2-16-10(14)8-13-11(15)12-6-5-9-4-3-7-17-9/h3-4,7H,2,5-6,8H2,1H3,(H2,12,13,15)
InChIKeyLNUJLXUMIUUIGW-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.15
Rot. Bonds6

About ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate

ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate (PubChem CID 43445634) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
PubChem CID43445634
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-2-16-10(14)8-13-11(15)12-6-5-9-4-3-7-17-9/h3-4,7H,2,5-6,8H2,1H3,(H2,12,13,15)
InChIKeyLNUJLXUMIUUIGW-UHFFFAOYSA-N
XLogP1.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
ethyl 3-hydroxy-4-(2-thiophen-2-ylethylamino)butanoate
CID 103235530
ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate
CID 13111463
3-methyl-2-[(2-thiophen-2-ylethylcarbamoylamino)methyl]butanoic acid
CID 65218687
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate
CID 22575181
N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
CID 134000912
1-(2-hydroxypentyl)-3-(2-thiophen-2-ylethyl)urea
CID 111120759
2-amino-2-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 60847685
2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 43015979

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate (CID 43445634) is ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NCCc1cccs1.
What is the InChIKey of ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate?
The InChIKey is LNUJLXUMIUUIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-16-10(14)8-13-11(15)12-6-5-9-4-3-7-17-9/h3-4,7H,2,5-6,8H2,1H3,(H2,12,13,15).
What are the key properties of ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate?
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate has a molecular weight of 256.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate is sourced from PubChem (CID 43445634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).