N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide

C14H16FN3OS — CID 23801417

IUPACN-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nccn1C)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H16FN3OS/c1-3-12(20-14-16-8-9-18(14)2)13(19)17-11-7-5-4-6-10(11)15/h4-9,12H,3H2,1-2H3,(H,17,19)
InChIKeyYFNFBNCFNKTRKR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.07
Rot. Bonds5

About N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide

N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide (PubChem CID 23801417) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
PubChem CID23801417
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC NameN-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nccn1C)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H16FN3OS/c1-3-12(20-14-16-8-9-18(14)2)13(19)17-11-7-5-4-6-10(11)15/h4-9,12H,3H2,1-2H3,(H,17,19)
InChIKeyYFNFBNCFNKTRKR-UHFFFAOYSA-N
XLogP3.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23743068
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 42739159
N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 23970279
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
CID 3502941
N-(2-fluorophenyl)-2-[[5-[1-(4-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide
CID 43883593
ethyl 4-[2-(1-methylimidazol-2-yl)sulfanylbutanoylamino]benzoate
CID 23830213
N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
CID 23858589
(2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide
CID 27260653
2-[[4-ethyl-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)butanamide
CID 43883711
N-(1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23742388
N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 25034831

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide?
The IUPAC name of N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide (CID 23801417) is N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide is CCC(Sc1nccn1C)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide?
The InChIKey is YFNFBNCFNKTRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-3-12(20-14-16-8-9-18(14)2)13(19)17-11-7-5-4-6-10(11)15/h4-9,12H,3H2,1-2H3,(H,17,19).
What are the key properties of N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide?
N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide has a molecular weight of 293.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide is sourced from PubChem (CID 23801417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).