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

C14H20Cl2N2OS — CID 107748565

IUPACN-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide
SMILESCCCCCSC(C)C(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H20Cl2N2OS/c1-3-4-5-6-20-9(2)14(19)18-13-11(15)7-10(17)8-12(13)16/h7-9H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyRVNGFFJGOUAAPQ-UHFFFAOYSA-N
MW335.30 g/mol
LogP4.83
Rot. Bonds7

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

N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide (PubChem CID 107748565) has the molecular formula C14H20Cl2N2OS and a molecular weight of 335.30 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide
PubChem CID107748565
Molecular FormulaC14H20Cl2N2OS
Molecular Weight335.30 g/mol
Exact Mass334.07
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide
SMILESCCCCCSC(C)C(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H20Cl2N2OS/c1-3-4-5-6-20-9(2)14(19)18-13-11(15)7-10(17)8-12(13)16/h7-9H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyRVNGFFJGOUAAPQ-UHFFFAOYSA-N
XLogP4.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 54.83
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-[methyl(pentyl)amino]propanamide
CID 43294459
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide
CID 66114719
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
CID 61302841
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpentan-2-yloxy)propanamide
CID 60725471
N-(4-amino-2,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43093302
2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide
CID 86857995
N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82004014
N-(4-amino-2,6-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 43093599
N-(2-amino-4,6-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 43125827
2-(4-aminobutylsulfanyl)-N-(2-chlorophenyl)propanamide
CID 82180215
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-pentylsulfanylpropanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide (CID 107748565) is N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide is CCCCCSC(C)C(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide?
The InChIKey is RVNGFFJGOUAAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2OS/c1-3-4-5-6-20-9(2)14(19)18-13-11(15)7-10(17)8-12(13)16/h7-9H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide?
N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide has a molecular weight of 335.30 g/mol, XLogP of 4.83, 7 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-pentylsulfanylpropanamide is sourced from PubChem (CID 107748565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).