methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate

C9H7NO5S — CID 54717212

IUPACmethyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate
SMILESCOC(=O)c1cc2oc(C(N)=O)c(O)c2s1
InChIInChI=1S/C9H7NO5S/c1-14-9(13)4-2-3-7(16-4)5(11)6(15-3)8(10)12/h2,11H,1H3,(H2,10,12)
InChIKeyACBQRUNYHOLYFR-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.09
Rot. Bonds2

About methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate

methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate (PubChem CID 54717212) has the molecular formula C9H7NO5S and a molecular weight of 241.22 g/mol. Its IUPAC name is methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate
PubChem CID54717212
Molecular FormulaC9H7NO5S
Molecular Weight241.22 g/mol
Exact Mass241.00
IUPAC Namemethyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate
SMILESCOC(=O)c1cc2oc(C(N)=O)c(O)c2s1
InChIInChI=1S/C9H7NO5S/c1-14-9(13)4-2-3-7(16-4)5(11)6(15-3)8(10)12/h2,11H,1H3,(H2,10,12)
InChIKeyACBQRUNYHOLYFR-UHFFFAOYSA-N
XLogP1.09
TPSA102.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 5-aminothiophene-2,4-dicarboxylate
CID 19982419
methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate
CID 139692760
methyl 4,6-dibromoselenopheno[3,4-b]thiophene-2-carboxylate
CID 70874095
methyl 3-chloro-7-hydroxyfuro[3,2-c]pyridazine-6-carboxylate
CID 147079321
methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate
CID 44558323
methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate
CID 84675996
methyl 7-(dimethylamino)-1-benzothiophene-2-carboxylate
CID 121413842
methyl 5-carbamoyl-4-methyl-1,3-oxazole-2-carboxylate
CID 68802843
methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride
CID 172915979
5-aminothiophene-2-carboxamide;methyl 5-aminothiophene-2-carboxylate
CID 158503805
methyl 2-amino-3H-thieno[2,3-b][1,4]oxazine-6-carboxylate
CID 70296510
methyl 4-formyl-7-hydroxy-1-benzothiophene-2-carboxylate
CID 131384559

Frequently Asked Questions

What is the IUPAC name of methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate?
The IUPAC name of methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate (CID 54717212) is methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate.
What is the SMILES notation for methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate?
The canonical SMILES for methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate is COC(=O)c1cc2oc(C(N)=O)c(O)c2s1.
What is the InChIKey of methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate?
The InChIKey is ACBQRUNYHOLYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5S/c1-14-9(13)4-2-3-7(16-4)5(11)6(15-3)8(10)12/h2,11H,1H3,(H2,10,12).
What are the key properties of methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate?
methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate has a molecular weight of 241.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-carbamoyl-3-hydroxythieno[3,2-b]furan-5-carboxylate is sourced from PubChem (CID 54717212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).