N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide

C14H20Cl2N2O2S — CID 107753531

IUPACN-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
SMILESCCCCCS(=O)CCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-2-3-4-6-21(20)7-5-13(19)18-14-11(15)8-10(17)9-12(14)16/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyGKSMCNDZRYCMPY-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.84
Rot. Bonds8

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

N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide (PubChem CID 107753531) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
PubChem CID107753531
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
SMILESCCCCCS(=O)CCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-2-3-4-6-21(20)7-5-13(19)18-14-11(15)8-10(17)9-12(14)16/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyGKSMCNDZRYCMPY-UHFFFAOYSA-N
XLogP3.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-4-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753534
N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753533
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
CID 29271711
N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide
CID 107753561
N-(4-aminophenyl)-4-pentylsulfinylbutanamide
CID 107753588
N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide
CID 43444834
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
CID 63856685
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide
CID 61286801
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(3-amino-2-methylphenyl)-3-pentylsulfinylpropanamide
CID 107753558
N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
CID 107753587

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide (CID 107753531) is N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide is CCCCCS(=O)CCC(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide?
The InChIKey is GKSMCNDZRYCMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-2-3-4-6-21(20)7-5-13(19)18-14-11(15)8-10(17)9-12(14)16/h8-9H,2-7,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide?
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide has a molecular weight of 351.30 g/mol, XLogP of 3.84, 8 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)-3-pentylsulfinylpropanamide is sourced from PubChem (CID 107753531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).