ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate

C14H21NO3S — CID 46095194

IUPACethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OCC)c(NC(=O)C(C)C)s1
InChIInChI=1S/C14H21NO3S/c1-5-7-10-8-11(14(17)18-6-2)13(19-10)15-12(16)9(3)4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeySJUVVLKWIVIEQR-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.47
Rot. Bonds6

About ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate

ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate (PubChem CID 46095194) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate
PubChem CID46095194
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OCC)c(NC(=O)C(C)C)s1
InChIInChI=1S/C14H21NO3S/c1-5-7-10-8-11(14(17)18-6-2)13(19-10)15-12(16)9(3)4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeySJUVVLKWIVIEQR-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 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095200
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
ethyl 2-[(2-amino-3-methylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 61259040
ethyl 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate
CID 46095143
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-(2-methylpropanoylamino)thiophene-3-carboxylate
CID 110496073
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-ethylthiophene-3-carboxylate
CID 65229431
ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-propylthiophene-3-carboxylate
CID 1009155
(1S,6R)-6-[(3-ethoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 995593
(1S,2S,3S,4S)-3-[(3-ethoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98233160
(1S,2R,3S,4S)-3-[(3-ethoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98203693
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate (CID 46095194) is ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate is CCCc1cc(C(=O)OCC)c(NC(=O)C(C)C)s1.
What is the InChIKey of ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate?
The InChIKey is SJUVVLKWIVIEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-5-7-10-8-11(14(17)18-6-2)13(19-10)15-12(16)9(3)4/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate?
ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-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 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate is sourced from PubChem (CID 46095194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).