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

C12H16Cl2N2O2S — CID 61302841

IUPACN-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
SMILESCCCS(=O)C(C)C(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-3-4-19(18)7(2)12(17)16-11-9(13)5-8(15)6-10(11)14/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyPSFDXMXLAHZGQH-UHFFFAOYSA-N
MW323.25 g/mol
LogP3.06
Rot. Bonds5

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

N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide (PubChem CID 61302841) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
PubChem CID61302841
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
SMILESCCCS(=O)C(C)C(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-3-4-19(18)7(2)12(17)16-11-9(13)5-8(15)6-10(11)14/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyPSFDXMXLAHZGQH-UHFFFAOYSA-N
XLogP3.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 53.06
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-propylsulfinylacetamide
CID 61304432
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide
CID 61302835
N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide
CID 107748565
N-(4-amino-2,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43093302
N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82004014
N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide
CID 43294459
N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 43080000
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide
CID 61286801
N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpentan-2-yloxy)propanamide
CID 60725471
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
CID 107753531

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide (CID 61302841) is N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide is CCCS(=O)C(C)C(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide?
The InChIKey is PSFDXMXLAHZGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-3-4-19(18)7(2)12(17)16-11-9(13)5-8(15)6-10(11)14/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide?
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide has a molecular weight of 323.25 g/mol, XLogP of 3.06, 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-propylsulfinylpropanamide is sourced from PubChem (CID 61302841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).