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

C12H19NO2S — CID 63531002

IUPACethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate
SMILESCCCNc1sc(CC)cc1C(=O)OCC
InChIInChI=1S/C12H19NO2S/c1-4-7-13-11-10(12(14)15-6-3)8-9(5-2)16-11/h8,13H,4-7H2,1-3H3
InChIKeyBXPKZLWLMNQXPN-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.31
Rot. Bonds6

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

ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate (PubChem CID 63531002) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate
PubChem CID63531002
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nameethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate
SMILESCCCNc1sc(CC)cc1C(=O)OCC
InChIInChI=1S/C12H19NO2S/c1-4-7-13-11-10(12(14)15-6-3)8-9(5-2)16-11/h8,13H,4-7H2,1-3H3
InChIKeyBXPKZLWLMNQXPN-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906
ethyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 79812984
ethyl 2-[(3-chloro-2,2-dimethylpropanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 63680722
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-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate
CID 114811418
ethyl 2-[(2-amino-3-methylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 61259040
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 5-ethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 1406514
ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate
CID 114875722

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate (CID 63531002) is ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate is CCCNc1sc(CC)cc1C(=O)OCC.
What is the InChIKey of ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate?
The InChIKey is BXPKZLWLMNQXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-7-13-11-10(12(14)15-6-3)8-9(5-2)16-11/h8,13H,4-7H2,1-3H3.
What are the key properties of ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate?
ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate has a molecular weight of 241.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate is sourced from PubChem (CID 63531002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).