2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide

C12H17FN2O2S — CID 81185618

IUPAC2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O2S/c1-3-15(4-2)12(16)8-18(17)11-6-5-9(13)7-10(11)14/h5-7H,3-4,8,14H2,1-2H3
InChIKeyKPVJUWSUTLDLEU-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.38
Rot. Bonds5

About 2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide

2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide (PubChem CID 81185618) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide
PubChem CID81185618
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O2S/c1-3-15(4-2)12(16)8-18(17)11-6-5-9(13)7-10(11)14/h5-7H,3-4,8,14H2,1-2H3
InChIKeyKPVJUWSUTLDLEU-UHFFFAOYSA-N
XLogP1.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.38
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-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81192294
2-[(4-ethylphenyl)methylsulfinyl]-5-fluoroaniline
CID 81186273
2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81185383
2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 63110325
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide
CID 81176174
N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide
CID 81329251
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
5-fluoro-2-[(5-fluoro-2-methylphenyl)methylsulfinyl]aniline
CID 105376341
1-(2,4-difluorophenyl)sulfinylpropan-2-one
CID 64641314
N-(3-aminopropyl)-2-(2,5-difluorophenyl)sulfinyl-N-methylacetamide
CID 81328265
2-amino-4-fluorobenzenesulfinate
CID 174459431
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzamide
CID 55228471

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide (CID 81185618) is 2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide is CCN(CC)C(=O)CS(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide?
The InChIKey is KPVJUWSUTLDLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-3-15(4-2)12(16)8-18(17)11-6-5-9(13)7-10(11)14/h5-7H,3-4,8,14H2,1-2H3.
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide?
2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide has a molecular weight of 272.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide is sourced from PubChem (CID 81185618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).