ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate

C15H23NO3S — CID 4583050

IUPACethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C(CC)CC)sc(C)c1C
InChIInChI=1S/C15H23NO3S/c1-6-11(7-2)13(17)16-14-12(15(18)19-8-3)9(4)10(5)20-14/h11H,6-8H2,1-5H3,(H,16,17)
InChIKeySLZNOBDEWBLKSQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.92
Rot. Bonds6

About ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate

ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate (PubChem CID 4583050) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate
PubChem CID4583050
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Nameethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C(CC)CC)sc(C)c1C
InChIInChI=1S/C15H23NO3S/c1-6-11(7-2)13(17)16-14-12(15(18)19-8-3)9(4)10(5)20-14/h11H,6-8H2,1-5H3,(H,16,17)
InChIKeySLZNOBDEWBLKSQ-UHFFFAOYSA-N
XLogP3.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 107569334
ethyl 2-[(2-amino-3-methoxypropanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 81088303
ethyl 2-(2-acetamidopropanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 43403954
ethyl 4,5-dimethyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate
CID 4069146
ethyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 3631957
2-O-benzyl 4-O-ethyl 5-(2-ethylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate
CID 28693754
ethyl 4,5-dimethyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-3-carboxylate
CID 2165807
2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide
CID 4195204
ethyl 2-[2-(4-methoxyphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 17034262
ethyl 4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylate
CID 903505
ethyl 4,5-dimethyl-2-[(2-propan-2-yloxyacetyl)amino]thiophene-3-carboxylate
CID 47423553
ethyl 2-[[(Z)-but-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 97305660

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate (CID 4583050) is ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)C(CC)CC)sc(C)c1C.
What is the InChIKey of ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is SLZNOBDEWBLKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-6-11(7-2)13(17)16-14-12(15(18)19-8-3)9(4)10(5)20-14/h11H,6-8H2,1-5H3,(H,16,17).
What are the key properties of ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 4583050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).