ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate

C19H28N2O4S — CID 112827829

IUPACethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC(=O)N(C(CC)CC)C2)sc(C)c1C
InChIInChI=1S/C19H28N2O4S/c1-6-14(7-2)21-10-13(9-15(21)22)17(23)20-18-16(19(24)25-8-3)11(4)12(5)26-18/h13-14H,6-10H2,1-5H3,(H,20,23)
InChIKeyTVFMKJNRBUMGKL-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.52
Rot. Bonds7

About ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 112827829) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID112827829
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Nameethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC(=O)N(C(CC)CC)C2)sc(C)c1C
InChIInChI=1S/C19H28N2O4S/c1-6-14(7-2)21-10-13(9-15(21)22)17(23)20-18-16(19(24)25-8-3)11(4)12(5)26-18/h13-14H,6-10H2,1-5H3,(H,20,23)
InChIKeyTVFMKJNRBUMGKL-UHFFFAOYSA-N
XLogP3.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 3631957
ethyl 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 107002319
ethyl 2-(2-ethylbutanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4583050
ethyl 4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylate
CID 903505
2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166
ethyl 4,5-dimethyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-3-carboxylate
CID 2165807
N-(3,4-dimethylphenyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826759
ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 40840537
ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16861586
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119522458
[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3428519
ethyl 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 3481646

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate (CID 112827829) is ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)C2CC(=O)N(C(CC)CC)C2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is TVFMKJNRBUMGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-6-14(7-2)21-10-13(9-15(21)22)17(23)20-18-16(19(24)25-8-3)11(4)12(5)26-18/h13-14H,6-10H2,1-5H3,(H,20,23).
What are the key properties of ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 380.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 112827829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).