2-(4-fluoro-3-methylphenyl)sulfanylhexanamide

C13H18FNOS — CID 143743960

IUPAC2-(4-fluoro-3-methylphenyl)sulfanylhexanamide
SMILESCCCCC(Sc1ccc(F)c(C)c1)C(N)=O
InChIInChI=1S/C13H18FNOS/c1-3-4-5-12(13(15)16)17-10-6-7-11(14)9(2)8-10/h6-8,12H,3-5H2,1-2H3,(H2,15,16)
InChIKeyULBHGMJQNNNTLR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.27
Rot. Bonds6

About 2-(4-fluoro-3-methylphenyl)sulfanylhexanamide

2-(4-fluoro-3-methylphenyl)sulfanylhexanamide (PubChem CID 143743960) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)sulfanylhexanamide.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)sulfanylhexanamide
PubChem CID143743960
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name2-(4-fluoro-3-methylphenyl)sulfanylhexanamide
SMILESCCCCC(Sc1ccc(F)c(C)c1)C(N)=O
InChIInChI=1S/C13H18FNOS/c1-3-4-5-12(13(15)16)17-10-6-7-11(14)9(2)8-10/h6-8,12H,3-5H2,1-2H3,(H2,15,16)
InChIKeyULBHGMJQNNNTLR-UHFFFAOYSA-N
XLogP3.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pentanamide
CID 162646033
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]pentanamide
CID 162650091
2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]hexanamide
CID 162650825
2-Cyclopentyl-2-[(3,5-difluorophenyl)methylsulfanyl]acetamide
CID 162674225
2-Cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide
CID 162676071
Benzeneacetamide, 4-((1-methylethyl)thio)-
CID 827349
2-(3-Fluorophenyl)sulfanyl-2-phenylacetamide
CID 162661582
2-Phenyl-2-phenylsulfanylacetamide
CID 4627806
Benzeneacetamide, alpha-methyl-4-((1-methylethyl)thio)-
CID 3075987
2-(2,5-Difluorophenyl)sulfanyl-2-phenylacetamide
CID 18139524
2-[3-(Trifluoromethyl)phenyl]sulfanylpropanamide
CID 4875532
2-(2-Fluorophenyl)sulfanyl-2-phenylacetamide
CID 18135049

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)sulfanylhexanamide?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)sulfanylhexanamide (CID 143743960) is 2-(4-fluoro-3-methylphenyl)sulfanylhexanamide.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)sulfanylhexanamide?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)sulfanylhexanamide is CCCCC(Sc1ccc(F)c(C)c1)C(N)=O.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)sulfanylhexanamide?
The InChIKey is ULBHGMJQNNNTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-3-4-5-12(13(15)16)17-10-6-7-11(14)9(2)8-10/h6-8,12H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of 2-(4-fluoro-3-methylphenyl)sulfanylhexanamide?
2-(4-fluoro-3-methylphenyl)sulfanylhexanamide has a molecular weight of 255.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)sulfanylhexanamide is sourced from PubChem (CID 143743960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).