ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate

C12H18N2O3S — CID 43404906

IUPACethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
SMILESCCNC(=O)Nc1sc(CC)cc1C(=O)OCC
InChIInChI=1S/C12H18N2O3S/c1-4-8-7-9(11(15)17-6-3)10(18-8)14-12(16)13-5-2/h7H,4-6H2,1-3H3,(H2,13,14,16)
InChIKeyGURUJUVRWGPXCW-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.63
Rot. Bonds5

About ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate

ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate (PubChem CID 43404906) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
PubChem CID43404906
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
SMILESCCNC(=O)Nc1sc(CC)cc1C(=O)OCC
InChIInChI=1S/C12H18N2O3S/c1-4-8-7-9(11(15)17-6-3)10(18-8)14-12(16)13-5-2/h7H,4-6H2,1-3H3,(H2,13,14,16)
InChIKeyGURUJUVRWGPXCW-UHFFFAOYSA-N
XLogP2.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 79812984
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
CID 116658706
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
ethyl 5-ethyl-2-[3-(ethylamino)propanoylamino]thiophene-3-carboxylate
CID 62834986
ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 63680722
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 2-[(2-amino-3-methylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 61259040
ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate
CID 63531002
ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate
CID 114875722
ethyl 5-ethyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 114822083

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate (CID 43404906) is ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate is CCNC(=O)Nc1sc(CC)cc1C(=O)OCC.
What is the InChIKey of ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate?
The InChIKey is GURUJUVRWGPXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-8-7-9(11(15)17-6-3)10(18-8)14-12(16)13-5-2/h7H,4-6H2,1-3H3,(H2,13,14,16).
What are the key properties of ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate?
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 43404906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).