methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate

C18H14N2O3S — CID 58657295

IUPACmethyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cn2)s1
InChIInChI=1S/C18H14N2O3S/c1-23-18(22)16-10-9-15(24-16)14-8-7-13(11-19-14)20-17(21)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKeyIWWNESJGTKDCOT-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.85
Rot. Bonds4

About methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate

methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate (PubChem CID 58657295) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate
PubChem CID58657295
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Namemethyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cn2)s1
InChIInChI=1S/C18H14N2O3S/c1-23-18(22)16-10-9-15(24-16)14-8-7-13(11-19-14)20-17(21)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKeyIWWNESJGTKDCOT-UHFFFAOYSA-N
XLogP3.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate (CID 58657295) is methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate is COC(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cn2)s1.
What is the InChIKey of methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate?
The InChIKey is IWWNESJGTKDCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-23-18(22)16-10-9-15(24-16)14-8-7-13(11-19-14)20-17(21)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21).
What are the key properties of methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate?
methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-benzamido-2-pyridinyl)thiophene-2-carboxylate is sourced from PubChem (CID 58657295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).