5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide

C18H15FN2O2S — CID 99633772

IUPAC5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide
SMILESCOc1ncccc1N(C)C(=O)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C18H15FN2O2S/c1-21(14-8-5-11-20-17(14)23-2)18(22)16-10-9-15(24-16)12-6-3-4-7-13(12)19/h3-11H,1-2H3
InChIKeyZLZWASOURXCTPI-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.23
Rot. Bonds4

About 5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide

5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide (PubChem CID 99633772) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide
PubChem CID99633772
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide
SMILESCOc1ncccc1N(C)C(=O)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C18H15FN2O2S/c1-21(14-8-5-11-20-17(14)23-2)18(22)16-10-9-15(24-16)12-6-3-4-7-13(12)19/h3-11H,1-2H3
InChIKeyZLZWASOURXCTPI-UHFFFAOYSA-N
XLogP4.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide (CID 99633772) is 5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide is COc1ncccc1N(C)C(=O)c1ccc(-c2ccccc2F)s1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide?
The InChIKey is ZLZWASOURXCTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-21(14-8-5-11-20-17(14)23-2)18(22)16-10-9-15(24-16)12-6-3-4-7-13(12)19/h3-11H,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide?
5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(2-methoxy-3-pyridinyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 99633772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).