methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate

C8H9NO4S — CID 139692760

IUPACmethyl 5-carbamoyl-4-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(C(N)=O)s1
InChIInChI=1S/C8H9NO4S/c1-12-4-3-5(8(11)13-2)14-6(4)7(9)10/h3H,1-2H3,(H2,9,10)
InChIKeyHPYBULATWPWMFK-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.64
Rot. Bonds3

About methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate

methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate (PubChem CID 139692760) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-carbamoyl-4-methoxythiophene-2-carboxylate
PubChem CID139692760
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Namemethyl 5-carbamoyl-4-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(C(N)=O)s1
InChIInChI=1S/C8H9NO4S/c1-12-4-3-5(8(11)13-2)14-6(4)7(9)10/h3H,1-2H3,(H2,9,10)
InChIKeyHPYBULATWPWMFK-UHFFFAOYSA-N
XLogP0.64
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate?
The IUPAC name of methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate (CID 139692760) is methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate?
The canonical SMILES for methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate is COC(=O)c1cc(OC)c(C(N)=O)s1.
What is the InChIKey of methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate?
The InChIKey is HPYBULATWPWMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-12-4-3-5(8(11)13-2)14-6(4)7(9)10/h3H,1-2H3,(H2,9,10).
What are the key properties of methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate?
methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate has a molecular weight of 215.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-carbamoyl-4-methoxythiophene-2-carboxylate is sourced from PubChem (CID 139692760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).