ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate

C13H20N2O3S — CID 22575181

IUPACethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCc1csc(C)c1C
InChIInChI=1S/C13H20N2O3S/c1-4-18-12(16)7-15-13(17)14-6-5-11-8-19-10(3)9(11)2/h8H,4-7H2,1-3H3,(H2,14,15,17)
InChIKeyRMLVHDZZTTYQKC-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.77
Rot. Bonds6

About ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate

ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate (PubChem CID 22575181) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate
PubChem CID22575181
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCc1csc(C)c1C
InChIInChI=1S/C13H20N2O3S/c1-4-18-12(16)7-15-13(17)14-6-5-11-8-19-10(3)9(11)2/h8H,4-7H2,1-3H3,(H2,14,15,17)
InChIKeyRMLVHDZZTTYQKC-UHFFFAOYSA-N
XLogP1.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate
CID 65231536
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696
ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate
CID 108900641
ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate
CID 102676292
ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
CID 17174428

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate (CID 22575181) is ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCCc1csc(C)c1C.
What is the InChIKey of ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate?
The InChIKey is RMLVHDZZTTYQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-18-12(16)7-15-13(17)14-6-5-11-8-19-10(3)9(11)2/h8H,4-7H2,1-3H3,(H2,14,15,17).
What are the key properties of ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate?
ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate has a molecular weight of 284.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate is sourced from PubChem (CID 22575181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).