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

C14H22N2O2S — CID 107748558

IUPACN-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide
SMILESCCCCCSCC(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C14H22N2O2S/c1-3-4-5-8-19-10-14(17)16-12-7-6-11(15)9-13(12)18-2/h6-7,9H,3-5,8,10,15H2,1-2H3,(H,16,17)
InChIKeyRTHPLLFKENSXPT-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.14
Rot. Bonds8

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

N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide (PubChem CID 107748558) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide
PubChem CID107748558
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide
SMILESCCCCCSCC(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C14H22N2O2S/c1-3-4-5-8-19-10-14(17)16-12-7-6-11(15)9-13(12)18-2/h6-7,9H,3-5,8,10,15H2,1-2H3,(H,16,17)
InChIKeyRTHPLLFKENSXPT-UHFFFAOYSA-N
XLogP3.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-pentylsulfanylacetamide
CID 107748600
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522
ethyl 2-[3-(4-amino-2-methoxyanilino)-3-oxopropyl]sulfanylacetate
CID 43618313
N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982174
N-(5-amino-2-methylphenyl)-2-butylsulfanylacetamide
CID 43615751
N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60886583
N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide
CID 66103319
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
CID 61304446
N-(3-aminophenyl)-2-butylsulfanylacetamide
CID 43615706
N-(4-amino-2-methoxyphenyl)-2-[butyl(methyl)amino]butanamide
CID 82224746

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide (CID 107748558) is N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide is CCCCCSCC(=O)Nc1ccc(N)cc1OC.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide?
The InChIKey is RTHPLLFKENSXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-4-5-8-19-10-14(17)16-12-7-6-11(15)9-13(12)18-2/h6-7,9H,3-5,8,10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide?
N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide has a molecular weight of 282.41 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide is sourced from PubChem (CID 107748558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).