ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate

C15H23NO3S — CID 46095200

IUPACethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OCC)c(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C15H23NO3S/c1-6-8-10-9-11(13(17)19-7-2)12(20-10)16-14(18)15(3,4)5/h9H,6-8H2,1-5H3,(H,16,18)
InChIKeyRTZWMIAJGHQANX-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.86
Rot. Bonds5

About ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate

ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate (PubChem CID 46095200) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate
PubChem CID46095200
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Nameethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OCC)c(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C15H23NO3S/c1-6-8-10-9-11(13(17)19-7-2)12(20-10)16-14(18)15(3,4)5/h9H,6-8H2,1-5H3,(H,16,18)
InChIKeyRTZWMIAJGHQANX-UHFFFAOYSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095194
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 2-(cyclohexanecarbonylamino)-5-propylthiophene-3-carboxylate
CID 46095143
(1S,2S,3S,4S)-3-[(3-ethoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98233160
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
(1S,6R)-6-[(3-ethoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 995593
(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
ethyl 2-(2,2-dimethylpropanoylamino)-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92760384
ethyl 5-ethyl-2-(propylamino)thiophene-3-carboxylate
CID 63531002
(1S,2S,3R,4S)-3-[(3-ethoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 98202740

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate (CID 46095200) is ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate is CCCc1cc(C(=O)OCC)c(NC(=O)C(C)(C)C)s1.
What is the InChIKey of ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate?
The InChIKey is RTZWMIAJGHQANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-6-8-10-9-11(13(17)19-7-2)12(20-10)16-14(18)15(3,4)5/h9H,6-8H2,1-5H3,(H,16,18).
What are the key properties of ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate?
ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate is sourced from PubChem (CID 46095200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).