N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide

C13H19ClN2OS — CID 107748600

IUPACN-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
SMILESCCCCCSCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2OS/c1-2-3-4-7-18-9-13(17)16-12-6-5-10(15)8-11(12)14/h5-6,8H,2-4,7,9,15H2,1H3,(H,16,17)
InChIKeyVGUZZPOYQKSWCP-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.78
Rot. Bonds7

About N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide

N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide (PubChem CID 107748600) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
PubChem CID107748600
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC NameN-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
SMILESCCCCCSCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2OS/c1-2-3-4-7-18-9-13(17)16-12-6-5-10(15)8-11(12)14/h5-6,8H,2-4,7,9,15H2,1H3,(H,16,17)
InChIKeyVGUZZPOYQKSWCP-UHFFFAOYSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.78
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-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114723
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide
CID 107748558
N-(5-amino-2-methylphenyl)-2-butylsulfanylacetamide
CID 43615751
N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide
CID 107753561
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(3-aminophenyl)-2-butylsulfanylacetamide
CID 43615706
N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 103288420
2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 43249692
N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080
N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66115840
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
CID 61287457

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide (CID 107748600) is N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide is CCCCCSCC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide?
The InChIKey is VGUZZPOYQKSWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-2-3-4-7-18-9-13(17)16-12-6-5-10(15)8-11(12)14/h5-6,8H,2-4,7,9,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide?
N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide has a molecular weight of 286.83 g/mol, XLogP of 3.78, 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-chlorophenyl)-2-pentylsulfanylacetamide is sourced from PubChem (CID 107748600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).