N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide

C13H19ClN2O2S — CID 107753902

IUPACN-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
SMILESCC(C)CCS(=O)CC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O2S/c1-9(2)5-6-19(18)8-13(17)16-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyPDUKUBHDAOGZFN-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.66
Rot. Bonds6

About N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide

N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide (PubChem CID 107753902) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
PubChem CID107753902
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
SMILESCC(C)CCS(=O)CC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O2S/c1-9(2)5-6-19(18)8-13(17)16-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyPDUKUBHDAOGZFN-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.66
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

N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753895
N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide
CID 61304444
N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61287840
N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide
CID 107767444
N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273330
N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753724
N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide
CID 62646858
N-(2-amino-4-chlorophenyl)-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425953
N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 61301818
N-(2-amino-4-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753534
N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide
CID 43571687
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide (CID 107753902) is N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide is CC(C)CCS(=O)CC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide?
The InChIKey is PDUKUBHDAOGZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9(2)5-6-19(18)8-13(17)16-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide?
N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide has a molecular weight of 302.83 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide is sourced from PubChem (CID 107753902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).