N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide

C18H16N2O2S — CID 53148173

IUPACN-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2ncccc2CNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H16N2O2S/c1-22-15-8-6-13(7-9-15)17-14(4-2-10-19-17)12-20-18(21)16-5-3-11-23-16/h2-11H,12H2,1H3,(H,20,21)
InChIKeyFWZZSCXEWAJDRK-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.75
Rot. Bonds5

About N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide

N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide (PubChem CID 53148173) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide
PubChem CID53148173
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2ncccc2CNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H16N2O2S/c1-22-15-8-6-13(7-9-15)17-14(4-2-10-19-17)12-20-18(21)16-5-3-11-23-16/h2-11H,12H2,1H3,(H,20,21)
InChIKeyFWZZSCXEWAJDRK-UHFFFAOYSA-N
XLogP3.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide (CID 53148173) is N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide is COc1ccc(-c2ncccc2CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide?
The InChIKey is FWZZSCXEWAJDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-22-15-8-6-13(7-9-15)17-14(4-2-10-19-17)12-20-18(21)16-5-3-11-23-16/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide?
N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53148173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).