N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide

C14H20FNOS — CID 20712292

IUPACN-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide
SMILESCCCC(C)(C)Sc1ccc(NC(C)=O)cc1F
InChIInChI=1S/C14H20FNOS/c1-5-8-14(3,4)18-13-7-6-11(9-12(13)15)16-10(2)17/h6-7,9H,5,8H2,1-4H3,(H,16,17)
InChIKeyZJEOHSKESZTBGO-UHFFFAOYSA-N
MW269.38 g/mol
LogP4.45
Rot. Bonds5

About N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide

N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide (PubChem CID 20712292) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide
PubChem CID20712292
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC NameN-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide
SMILESCCCC(C)(C)Sc1ccc(NC(C)=O)cc1F
InChIInChI=1S/C14H20FNOS/c1-5-8-14(3,4)18-13-7-6-11(9-12(13)15)16-10(2)17/h6-7,9H,5,8H2,1-4H3,(H,16,17)
InChIKeyZJEOHSKESZTBGO-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide (CID 20712292) is N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide is CCCC(C)(C)Sc1ccc(NC(C)=O)cc1F.
What is the InChIKey of N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide?
The InChIKey is ZJEOHSKESZTBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-5-8-14(3,4)18-13-7-6-11(9-12(13)15)16-10(2)17/h6-7,9H,5,8H2,1-4H3,(H,16,17).
What are the key properties of N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide?
N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide has a molecular weight of 269.38 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-methylpentan-2-ylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 20712292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).