N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide

C14H13FN2OS — CID 86926259

IUPACN-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCc1cccc(F)c1
InChIInChI=1S/C14H13FN2OS/c15-12-3-1-2-11(8-12)9-17-14(18)10-19-13-4-6-16-7-5-13/h1-8H,9-10H2,(H,17,18)
InChIKeyKRSWIZWWEMCPPP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.63
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide

N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 86926259) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID86926259
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC NameN-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCc1cccc(F)c1
InChIInChI=1S/C14H13FN2OS/c15-12-3-1-2-11(8-12)9-17-14(18)10-19-13-4-6-16-7-5-13/h1-8H,9-10H2,(H,17,18)
InChIKeyKRSWIZWWEMCPPP-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]benzamide
CID 86991735
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588
N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide
CID 53279525
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91797143
N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
CID 126465127
N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 110908962
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
3-[[(2-phenylsulfanylacetyl)amino]methyl]benzoic acid
CID 60894962
N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide
CID 3379552
4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55893772
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide (CID 86926259) is N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is KRSWIZWWEMCPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c15-12-3-1-2-11(8-12)9-17-14(18)10-19-13-4-6-16-7-5-13/h1-8H,9-10H2,(H,17,18).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide?
N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 276.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 86926259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).