ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate

C13H20N2O3S — CID 82056861

IUPACethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate
SMILESCCOC(=O)Cc1csc(N)c1C(=O)N(CC)CC
InChIInChI=1S/C13H20N2O3S/c1-4-15(5-2)13(17)11-9(8-19-12(11)14)7-10(16)18-6-3/h8H,4-7,14H2,1-3H3
InChIKeyIUHKZHDDJFEGQX-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.92
Rot. Bonds6

About ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate

ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate (PubChem CID 82056861) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate
PubChem CID82056861
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate
SMILESCCOC(=O)Cc1csc(N)c1C(=O)N(CC)CC
InChIInChI=1S/C13H20N2O3S/c1-4-15(5-2)13(17)11-9(8-19-12(11)14)7-10(16)18-6-3/h8H,4-7,14H2,1-3H3
InChIKeyIUHKZHDDJFEGQX-UHFFFAOYSA-N
XLogP1.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 70297607
ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate
CID 82056859
2-amino-N,N-diethyl-4-phenylthiophene-3-carboxamide
CID 82056870
ethyl 2-amino-4-(methylperoxymethyl)thiophene-3-carboxylate
CID 89176401
ethyl 2-(1,2,4-thiadiazol-3-yl)acetate
CID 21458513
ethyl 2-(5-ethyl-1-benzothiophen-3-yl)acetate
CID 15816638
methyl 2-amino-4-propylthiophene-3-carboxylate
CID 10559922
ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate
CID 68933507
ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate
CID 61013447
ethyl 2-[2-(diethylcarbamothioylsulfanyl)phenyl]acetate
CID 134280825
methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899541
ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
CID 163326154

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate?
The IUPAC name of ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate (CID 82056861) is ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate is CCOC(=O)Cc1csc(N)c1C(=O)N(CC)CC.
What is the InChIKey of ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate?
The InChIKey is IUHKZHDDJFEGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-15(5-2)13(17)11-9(8-19-12(11)14)7-10(16)18-6-3/h8H,4-7,14H2,1-3H3.
What are the key properties of ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate?
ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate has a molecular weight of 284.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate is sourced from PubChem (CID 82056861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).