N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide

C18H15FN2OS — CID 139906321

IUPACN-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H15FN2OS/c1-12(22)21-11-16-10-17(13-6-8-20-9-7-13)18(23-16)14-2-4-15(19)5-3-14/h2-10H,11H2,1H3,(H,21,22)
InChIKeyDUYLJVDMJCREBR-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.25
Rot. Bonds4

About N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide

N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide (PubChem CID 139906321) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide
PubChem CID139906321
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC NameN-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H15FN2OS/c1-12(22)21-11-16-10-17(13-6-8-20-9-7-13)18(23-16)14-2-4-15(19)5-3-14/h2-10H,11H2,1H3,(H,21,22)
InChIKeyDUYLJVDMJCREBR-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide (CID 139906321) is N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide is CC(=O)NCc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide?
The InChIKey is DUYLJVDMJCREBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-12(22)21-11-16-10-17(13-6-8-20-9-7-13)18(23-16)14-2-4-15(19)5-3-14/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide?
N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 139906321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).