methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate

C9H11NO4S — CID 47154054

IUPACmethyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate
SMILESCCONC(=O)c1ccc(C(=O)OC)s1
InChIInChI=1S/C9H11NO4S/c1-3-14-10-8(11)6-4-5-7(15-6)9(12)13-2/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyGVBCGNHUONIGSI-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.22
Rot. Bonds4

About methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate

methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate (PubChem CID 47154054) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate
PubChem CID47154054
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Namemethyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate
SMILESCCONC(=O)c1ccc(C(=O)OC)s1
InChIInChI=1S/C9H11NO4S/c1-3-14-10-8(11)6-4-5-7(15-6)9(12)13-2/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyGVBCGNHUONIGSI-UHFFFAOYSA-N
XLogP1.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate (CID 47154054) is methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate is CCONC(=O)c1ccc(C(=O)OC)s1.
What is the InChIKey of methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate?
The InChIKey is GVBCGNHUONIGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-3-14-10-8(11)6-4-5-7(15-6)9(12)13-2/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate?
methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate has a molecular weight of 229.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(ethoxycarbamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 47154054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).