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

C14H21NO3S — CID 43409835

IUPACethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)C(C)CC
InChIInChI=1S/C14H21NO3S/c1-5-9(4)12(16)15-13-11(14(17)18-7-3)8-10(6-2)19-13/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyBPDCTTQHOLGADQ-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.47
Rot. Bonds6

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

ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate (PubChem CID 43409835) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
PubChem CID43409835
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Nameethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)C(C)CC
InChIInChI=1S/C14H21NO3S/c1-5-9(4)12(16)15-13-11(14(17)18-7-3)8-10(6-2)19-13/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyBPDCTTQHOLGADQ-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 2-[(2-amino-3-methylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 61259040
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-ethylthiophene-3-carboxylate
CID 65229431
ethyl 5-ethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylate
CID 114875722
ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095194
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 79812984
ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate
CID 43008127
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-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 114822083

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate (CID 43409835) is ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)C(C)CC.
What is the InChIKey of ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate?
The InChIKey is BPDCTTQHOLGADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-5-9(4)12(16)15-13-11(14(17)18-7-3)8-10(6-2)19-13/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate?
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate has a molecular weight of 283.39 g/mol, XLogP of 3.47, 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-(2-methylbutanoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 43409835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).