2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide

C13H19FN2O2S — CID 81182738

IUPAC2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CS(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O2S/c1-9(2)5-6-16-13(17)8-19(18)12-7-10(14)3-4-11(12)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyWXHVRDGTPOVRFN-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.68
Rot. Bonds6

About 2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide

2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide (PubChem CID 81182738) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide
PubChem CID81182738
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CS(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O2S/c1-9(2)5-6-16-13(17)8-19(18)12-7-10(14)3-4-11(12)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyWXHVRDGTPOVRFN-UHFFFAOYSA-N
XLogP1.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-methylphenyl)sulfinyl-N-(3-methylbutyl)acetamide
CID 81187295
2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81185383
3-(2-amino-5-fluorophenyl)sulfinyl-N-ethylpropanamide
CID 81184008
2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
2-(2-amino-5-fluorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81192638
2-(2-amino-5-bromophenyl)sulfinyl-N-butylacetamide
CID 81207148
2-(2-amino-5-methylphenyl)sulfinyl-N-(3-methylbutyl)propanamide
CID 81183646
2-(2-amino-5-bromophenyl)sulfinyl-N-(3-methylbutyl)propanamide
CID 81207002
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79142633
2-(2-amino-5-fluorophenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81183756
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide (CID 81182738) is 2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CS(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide?
The InChIKey is WXHVRDGTPOVRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9(2)5-6-16-13(17)8-19(18)12-7-10(14)3-4-11(12)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide?
2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide has a molecular weight of 286.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 81182738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).