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

C13H19ClN2O2S — CID 107753561

IUPACN-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide
SMILESCCCCCS(=O)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-2-3-4-7-19(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)
InChIKeyKJIZBSKXXSXJHP-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.80
Rot. Bonds7

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

N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide (PubChem CID 107753561) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide
PubChem CID107753561
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide
SMILESCCCCCS(=O)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-2-3-4-7-19(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)
InChIKeyKJIZBSKXXSXJHP-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.80
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-(2-methylsulfonylethylsulfinyl)acetamide
CID 63660470
N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753895
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
CID 61287457
4-chloro-3-[(2-pentylsulfinylacetyl)amino]benzoic acid
CID 107753190
N-(3-amino-4-chlorophenyl)-2-butylsulfinylacetamide
CID 61287224
N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
CID 107748600
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide
CID 61304432
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
CID 63856685
N-(2-amino-4-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753534
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
CID 107753531

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide (CID 107753561) is N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide is CCCCCS(=O)CC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide?
The InChIKey is KJIZBSKXXSXJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-2-3-4-7-19(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-pentylsulfinylacetamide?
N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide has a molecular weight of 302.83 g/mol, XLogP of 2.80, 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-pentylsulfinylacetamide is sourced from PubChem (CID 107753561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).