(2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate

C13H15NO5S — CID 3000068

IUPAC(2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)OC1CCOC1=O
InChIInChI=1S/C13H15NO5S/c1-6-7(2)20-11(14-8(3)15)10(6)13(17)19-9-4-5-18-12(9)16/h9H,4-5H2,1-3H3,(H,14,15)
InChIKeyCWRAQABKHLNAPW-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.80
Rot. Bonds3

About (2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate

(2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate (PubChem CID 3000068) has the molecular formula C13H15NO5S and a molecular weight of 297.33 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate
PubChem CID3000068
Molecular FormulaC13H15NO5S
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Name(2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)OC1CCOC1=O
InChIInChI=1S/C13H15NO5S/c1-6-7(2)20-11(14-8(3)15)10(6)13(17)19-9-4-5-18-12(9)16/h9H,4-5H2,1-3H3,(H,14,15)
InChIKeyCWRAQABKHLNAPW-UHFFFAOYSA-N
XLogP1.80
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
CID 291812
ethyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate
CID 543159
Ethyl 2-[(aminocarbonyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
CID 671916
Ethyl 4,5-dimethyl-2-(oxolan-2-ylcarbonylamino)thiophene-3-carboxylate
CID 3138739
Ethyl 4,5-dimethyl-2-[[2-(2-methylcyclopropanecarbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 4456612
Dimethyl 5-isobutyramido-3-methylthiophene-2,4-dicarboxylate
CID 662211
ethyl 2-[(N-butylglycyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1657161
ethyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2791251
methyl 2-[(tetrahydro-2-furanylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2861929
2-Methyl 4-propyl 3-methyl-5-[(tetrahydro-2-furanylcarbonyl)amino]-2,4-thiophenedicarboxylate
CID 4162216
Ethyl 2-(ethoxycarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 896721
Methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 5158903

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate (CID 3000068) is (2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate is CC(=O)Nc1sc(C)c(C)c1C(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is CWRAQABKHLNAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S/c1-6-7(2)20-11(14-8(3)15)10(6)13(17)19-9-4-5-18-12(9)16/h9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of (2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
(2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 297.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 3000068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).