[(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate

C15H13NO6S — CID 40952480

IUPAC[(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)O[C@@H]1CCOC1=O
InChIInChI=1S/C15H13NO6S/c1-8-7-11(16-13(17)9-3-2-5-20-9)23-12(8)15(19)22-10-4-6-21-14(10)18/h2-3,5,7,10H,4,6H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyUSJHOMVBRHLZEA-SNVBAGLBSA-N
MW335.34 g/mol
LogP2.37
Rot. Bonds4

About [(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate

[(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate (PubChem CID 40952480) has the molecular formula C15H13NO6S and a molecular weight of 335.34 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
PubChem CID40952480
Molecular FormulaC15H13NO6S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC Name[(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)O[C@@H]1CCOC1=O
InChIInChI=1S/C15H13NO6S/c1-8-7-11(16-13(17)9-3-2-5-20-9)23-12(8)15(19)22-10-4-6-21-14(10)18/h2-3,5,7,10H,4,6H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyUSJHOMVBRHLZEA-SNVBAGLBSA-N
XLogP2.37
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 134061007
4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230122
cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677533
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058
2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335
1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354056
N-[4-methyl-5-[methyl(piperidin-4-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119442590
N-[5-(2-cyclopentylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]furan-2-carboxamide
CID 71889888
(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55495739
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 51297207

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate (CID 40952480) is [(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate is Cc1cc(NC(=O)c2ccco2)sc1C(=O)O[C@@H]1CCOC1=O.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is USJHOMVBRHLZEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13NO6S/c1-8-7-11(16-13(17)9-3-2-5-20-9)23-12(8)15(19)22-10-4-6-21-14(10)18/h2-3,5,7,10H,4,6H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
[(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 335.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 40952480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).