[(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate

C16H21NO5S — CID 27541562

IUPAC[(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@@H]2CCOC2=O)c1C
InChIInChI=1S/C16H21NO5S/c1-8-9(2)23-12(17-15(20)16(3,4)5)11(8)14(19)22-10-6-7-21-13(10)18/h10H,6-7H2,1-5H3,(H,17,20)/t10-/m1/s1
InChIKeyBAFXZTQAZZJENP-SNVBAGLBSA-N
MW339.41 g/mol
LogP2.82
Rot. Bonds3

About [(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate

[(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate (PubChem CID 27541562) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
PubChem CID27541562
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@@H]2CCOC2=O)c1C
InChIInChI=1S/C16H21NO5S/c1-8-9(2)23-12(17-15(20)16(3,4)5)11(8)14(19)22-10-6-7-21-13(10)18/h10H,6-7H2,1-5H3,(H,17,20)/t10-/m1/s1
InChIKeyBAFXZTQAZZJENP-SNVBAGLBSA-N
XLogP2.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(2-amino-2-cyclopropylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 61260571
methyl 4,5-dimethyl-2-(oxane-4-carbonylamino)thiophene-3-carboxylate
CID 31965251
dimethyl (4R)-2-(2,2-dimethylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
CID 7116103
dimethyl (4S)-2-(2,2-dimethylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
CID 7116104
methyl 5-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carbonyl]oxymethyl]furan-2-carboxylate
CID 32933113
[2-(4-methylphenyl)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 33068928
[1-oxo-1-(propylamino)propan-2-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 46625729
methyl 2-[(3-amino-2,2-dimethylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 115426626
methyl 4,5-dimethyl-2-[[2,2,3,3,4,4,5,5-octafluoro-6-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-6-oxohexanoyl]amino]thiophene-3-carboxylate
CID 4155191
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 26171042
ethyl 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 24630656
[(3S)-2-oxooxolan-3-yl] 2,3,6-trichlorobenzoate
CID 2469357

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate (CID 27541562) is [(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate is Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@@H]2CCOC2=O)c1C.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is BAFXZTQAZZJENP-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21NO5S/c1-8-9(2)23-12(17-15(20)16(3,4)5)11(8)14(19)22-10-6-7-21-13(10)18/h10H,6-7H2,1-5H3,(H,17,20)/t10-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate?
[(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 339.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 27541562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).