2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide

C14H17FN2OS — CID 43303486

IUPAC2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(N)cc1F)C1=CCCC1
InChIInChI=1S/C14H17FN2OS/c1-17(11-4-2-3-5-11)14(18)9-19-13-7-6-10(16)8-12(13)15/h4,6-8H,2-3,5,9,16H2,1H3
InChIKeyZBCWIXIBYJPDSD-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.03
Rot. Bonds4

About 2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide

2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide (PubChem CID 43303486) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
PubChem CID43303486
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(N)cc1F)C1=CCCC1
InChIInChI=1S/C14H17FN2OS/c1-17(11-4-2-3-5-11)14(18)9-19-13-7-6-10(16)8-12(13)15/h4,6-8H,2-3,5,9,16H2,1H3
InChIKeyZBCWIXIBYJPDSD-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide
CID 5010791
2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 3992711
2-(2-aminophenyl)sulfanyl-N,N-diethylacetamide
CID 712541
N-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]acetamide
CID 16318914
Ammonium, (2-(o-acetamidophenylthio)ethyl)diethylmethyl-, iodide
CID 47273
Ammonium, (2-(p-acetamidophenyl)thioethyl)diethylmethyl-, iodide
CID 59522
N-{4-[(cyanomethyl)sulfanyl]phenyl}acetamide
CID 4094285
N-[4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylsulfanyl]phenyl]acetamide
CID 44439089
2-(3-fluoro-4-methylsulfanylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 72040324
2-(4-aminophenyl)sulfonyl-N-(2-methylsulfanylethyl)acetamide
CID 285186
S-(4-Acetamidophenyl) dimethylcarbamothioate
CID 299051
2-(4-aminophenyl)sulfonyl-N-propyl-acetamide
CID 285188

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide (CID 43303486) is 2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide is CN(C(=O)CSc1ccc(N)cc1F)C1=CCCC1.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide?
The InChIKey is ZBCWIXIBYJPDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-17(11-4-2-3-5-11)14(18)9-19-13-7-6-10(16)8-12(13)15/h4,6-8H,2-3,5,9,16H2,1H3.
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide?
2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide has a molecular weight of 280.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide is sourced from PubChem (CID 43303486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).