methyl 3-benzamidothiophene-2-carboxylate

C13H11NO3S — CID 738341

IUPACmethyl 3-benzamidothiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccccc1
InChIInChI=1S/C13H11NO3S/c1-17-13(16)11-10(7-8-18-11)14-12(15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKeyILRZDTPFHHAMMM-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.79
Rot. Bonds3

About methyl 3-benzamidothiophene-2-carboxylate

methyl 3-benzamidothiophene-2-carboxylate (PubChem CID 738341) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl 3-benzamidothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzamidothiophene-2-carboxylate
PubChem CID738341
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Namemethyl 3-benzamidothiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccccc1
InChIInChI=1S/C13H11NO3S/c1-17-13(16)11-10(7-8-18-11)14-12(15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)
InChIKeyILRZDTPFHHAMMM-UHFFFAOYSA-N
XLogP2.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-benzamidothiophene-2-carboxylate?
The IUPAC name of methyl 3-benzamidothiophene-2-carboxylate (CID 738341) is methyl 3-benzamidothiophene-2-carboxylate.
What is the SMILES notation for methyl 3-benzamidothiophene-2-carboxylate?
The canonical SMILES for methyl 3-benzamidothiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccccc1.
What is the InChIKey of methyl 3-benzamidothiophene-2-carboxylate?
The InChIKey is ILRZDTPFHHAMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-17-13(16)11-10(7-8-18-11)14-12(15)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15).
What are the key properties of methyl 3-benzamidothiophene-2-carboxylate?
methyl 3-benzamidothiophene-2-carboxylate has a molecular weight of 261.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzamidothiophene-2-carboxylate is sourced from PubChem (CID 738341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).