N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide

C12H16Cl2N2O3S — CID 61286405

IUPACN-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide
SMILESCOCCS(=O)CCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-19-3-5-20(18)4-2-11(17)16-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeyBRKQYECEPDAVFG-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.30
Rot. Bonds7

About N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide

N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide (PubChem CID 61286405) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide
PubChem CID61286405
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide
SMILESCOCCS(=O)CCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-19-3-5-20(18)4-2-11(17)16-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeyBRKQYECEPDAVFG-UHFFFAOYSA-N
XLogP2.30
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396
N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61428718
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide
CID 61304232
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
CID 63856685
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
CID 107753531
N-(2-amino-4,6-dichlorophenyl)-3-(4-oxo-1-pyridinyl)propanamide
CID 62881177
N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66321942

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide (CID 61286405) is N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide is COCCS(=O)CCC(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide?
The InChIKey is BRKQYECEPDAVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-19-3-5-20(18)4-2-11(17)16-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide?
N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide has a molecular weight of 339.24 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide is sourced from PubChem (CID 61286405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).