N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide

C11H14Cl2N2O2S — CID 61304432

IUPACN-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide
SMILESCCCS(=O)CC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H14Cl2N2O2S/c1-2-3-18(17)6-10(16)15-11-8(12)4-7(14)5-9(11)13/h4-5H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyVVQVYBCWJGAXSJ-UHFFFAOYSA-N
MW309.22 g/mol
LogP2.67
Rot. Bonds5

About N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide

N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide (PubChem CID 61304432) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide
PubChem CID61304432
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide
SMILESCCCS(=O)CC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H14Cl2N2O2S/c1-2-3-18(17)6-10(16)15-11-8(12)4-7(14)5-9(11)13/h4-5H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyVVQVYBCWJGAXSJ-UHFFFAOYSA-N
XLogP2.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.67
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-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide
CID 61286801
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
CID 107753531
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
CID 61302841
N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide
CID 107753561
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide
CID 43444834
N-(3-amino-4-chlorophenyl)-2-butylsulfinylacetamide
CID 61287224
N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
CID 63660470
N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753895
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
CID 29271711
N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide
CID 16778408

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide (CID 61304432) is N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide is CCCS(=O)CC(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide?
The InChIKey is VVQVYBCWJGAXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-2-3-18(17)6-10(16)15-11-8(12)4-7(14)5-9(11)13/h4-5H,2-3,6,14H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide?
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide has a molecular weight of 309.22 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide is sourced from PubChem (CID 61304432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).