N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide

C14H13FN2OS — CID 122132753

IUPACN-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)Nc2ccncc2F)cc1
InChIInChI=1S/C14H13FN2OS/c1-19-11-4-2-10(3-5-11)8-14(18)17-13-6-7-16-9-12(13)15/h2-7,9H,8H2,1H3,(H,16,17,18)
InChIKeyFCVIVWKTIFDTAY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.12
Rot. Bonds4

About N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide

N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 122132753) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide
PubChem CID122132753
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)Nc2ccncc2F)cc1
InChIInChI=1S/C14H13FN2OS/c1-19-11-4-2-10(3-5-11)8-14(18)17-13-6-7-16-9-12(13)15/h2-7,9H,8H2,1H3,(H,16,17,18)
InChIKeyFCVIVWKTIFDTAY-UHFFFAOYSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 75482660
N-(3-fluoro-4-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 113342447
N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 55148535
2-(2-chlorophenyl)-N-(3-fluoro-4-pyridinyl)acetamide
CID 122156122
N-(3-fluoro-4-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103946349
N-(2,5-dichlorophenyl)-2-(4-methylsulfanylphenyl)acetamide
CID 41126402
2-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826552
4-(bromomethyl)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594820
2-[4-(aminomethyl)phenoxy]-N-(3-fluoro-4-pyridinyl)acetamide
CID 107594623
2-[2-(difluoromethoxy)phenyl]-N-(3-fluoro-4-pyridinyl)acetamide
CID 122156107
1-ethyl-3-(3-fluoro-4-pyridinyl)-1-methylurea
CID 103886199
N-(2-fluoro-4-hydroxyphenyl)-2-pyridin-4-ylacetamide
CID 64795370

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide (CID 122132753) is N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide is CSc1ccc(CC(=O)Nc2ccncc2F)cc1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is FCVIVWKTIFDTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-19-11-4-2-10(3-5-11)8-14(18)17-13-6-7-16-9-12(13)15/h2-7,9H,8H2,1H3,(H,16,17,18).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide?
N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 122132753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).