ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate

C14H18N2O5S — CID 1221817

IUPACethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)[C@H]2CCCO2)c(C(N)=O)c1C
InChIInChI=1S/C14H18N2O5S/c1-3-20-14(19)10-7(2)9(11(15)17)13(22-10)16-12(18)8-5-4-6-21-8/h8H,3-6H2,1-2H3,(H2,15,17)(H,16,18)/t8-/m1/s1
InChIKeyUJGRTEHMCZQAAX-MRVPVSSYSA-N
MW326.37 g/mol
LogP1.45
Rot. Bonds5

About ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate

ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 1221817) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate
PubChem CID1221817
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Nameethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)[C@H]2CCCO2)c(C(N)=O)c1C
InChIInChI=1S/C14H18N2O5S/c1-3-20-14(19)10-7(2)9(11(15)17)13(22-10)16-12(18)8-5-4-6-21-8/h8H,3-6H2,1-2H3,(H2,15,17)(H,16,18)/t8-/m1/s1
InChIKeyUJGRTEHMCZQAAX-MRVPVSSYSA-N
XLogP1.45
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

ethyl 5-carbamoyl-4-methyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
CID 2932484
ethyl 5-carbamoyl-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]thiophene-3-carboxylate
CID 897989
dimethyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate
CID 2862167
diethyl 3-methyl-5-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-2,4-dicarboxylate
CID 27522355
4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid
CID 28858400
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide
CID 2970640
ethyl 4-carbamoyl-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-methylthiophene-2-carboxylate
CID 7521217
diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate
CID 28693670
ethyl 4-(4-chlorophenyl)-2-[[(2R)-oxolane-2-carbonyl]amino]thiophene-3-carboxylate
CID 1147024
4,5-dimethyl-2-(oxane-2-carbonylamino)thiophene-3-carboxylic acid
CID 55047609
diethyl 5-(carbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
CID 2771018
ethyl 2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrrole-3-carboxylate
CID 104855956

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate (CID 1221817) is ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)[C@H]2CCCO2)c(C(N)=O)c1C.
What is the InChIKey of ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is UJGRTEHMCZQAAX-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-3-20-14(19)10-7(2)9(11(15)17)13(22-10)16-12(18)8-5-4-6-21-8/h8H,3-6H2,1-2H3,(H2,15,17)(H,16,18)/t8-/m1/s1.
What are the key properties of ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate?
ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 326.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 1221817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).