N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide

C12H11FN2O2S2 — CID 61304641

IUPACN-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide
SMILESNc1ccc(F)cc1NC(=O)CS(=O)c1cccs1
InChIInChI=1S/C12H11FN2O2S2/c13-8-3-4-9(14)10(6-8)15-11(16)7-19(17)12-2-1-5-18-12/h1-6H,7,14H2,(H,15,16)
InChIKeyLCIYKPFPWGICEA-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.22
Rot. Bonds4

About N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide

N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide (PubChem CID 61304641) has the molecular formula C12H11FN2O2S2 and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide
PubChem CID61304641
Molecular FormulaC12H11FN2O2S2
Molecular Weight298.36 g/mol
Exact Mass298.02
IUPAC NameN-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide
SMILESNc1ccc(F)cc1NC(=O)CS(=O)c1cccs1
InChIInChI=1S/C12H11FN2O2S2/c13-8-3-4-9(14)10(6-8)15-11(16)7-19(17)12-2-1-5-18-12/h1-6H,7,14H2,(H,15,16)
InChIKeyLCIYKPFPWGICEA-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(2-amino-5-fluorophenyl)-2-butan-2-ylsulfinylacetamide
CID 61301862
1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone
CID 64639086
N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide
CID 61302260
N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfinyl)acetamide
CID 62995762
2-(2-amino-5-fluorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81192638
2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
CID 142142758
5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid
CID 110482697
N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide
CID 106495313
N-(2-amino-5-fluorophenyl)-2-(4-fluorophenoxy)acetamide
CID 43611984
N-(2-amino-5-fluorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60801946
N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 61439173

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide (CID 61304641) is N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide is Nc1ccc(F)cc1NC(=O)CS(=O)c1cccs1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide?
The InChIKey is LCIYKPFPWGICEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S2/c13-8-3-4-9(14)10(6-8)15-11(16)7-19(17)12-2-1-5-18-12/h1-6H,7,14H2,(H,15,16).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide?
N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide has a molecular weight of 298.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide is sourced from PubChem (CID 61304641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).