2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

C14H15FN2OS2 — CID 43303565

IUPAC2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESNc1ccc(SCC(=O)NCCc2cccs2)c(F)c1
InChIInChI=1S/C14H15FN2OS2/c15-12-8-10(16)3-4-13(12)20-9-14(18)17-6-5-11-2-1-7-19-11/h1-4,7-8H,5-6,9,16H2,(H,17,18)
InChIKeyPCPQKAAQPMIMGF-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.92
Rot. Bonds6

About 2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 43303565) has the molecular formula C14H15FN2OS2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID43303565
Molecular FormulaC14H15FN2OS2
Molecular Weight310.42 g/mol
Exact Mass310.06
IUPAC Name2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESNc1ccc(SCC(=O)NCCc2cccs2)c(F)c1
InChIInChI=1S/C14H15FN2OS2/c15-12-8-10(16)3-4-13(12)20-9-14(18)17-6-5-11-2-1-7-19-11/h1-4,7-8H,5-6,9,16H2,(H,17,18)
InChIKeyPCPQKAAQPMIMGF-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 43303693
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 40517895
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 7604132
(2R)-2-amino-3-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanylpropanoic acid
CID 61142490
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43303659
2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 36988394
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 51153283
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 55384827
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 43303113
2-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43303423

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (CID 43303565) is 2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is Nc1ccc(SCC(=O)NCCc2cccs2)c(F)c1.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is PCPQKAAQPMIMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS2/c15-12-8-10(16)3-4-13(12)20-9-14(18)17-6-5-11-2-1-7-19-11/h1-4,7-8H,5-6,9,16H2,(H,17,18).
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 43303565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).