N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C15H24N2O2S — CID 115949182

IUPACN-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCCSc1ccc(N)c(NC(=O)COC(C)(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-5-8-20-11-6-7-12(16)13(9-11)17-14(18)10-19-15(2,3)4/h6-7,9H,5,8,10,16H2,1-4H3,(H,17,18)
InChIKeyJMHNEGZHWMMAGC-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.52
Rot. Bonds6

About N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115949182) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115949182
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCCSc1ccc(N)c(NC(=O)COC(C)(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-5-8-20-11-6-7-12(16)13(9-11)17-14(18)10-19-15(2,3)4/h6-7,9H,5,8,10,16H2,1-4H3,(H,17,18)
InChIKeyJMHNEGZHWMMAGC-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107174821
N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide
CID 43549022
N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide
CID 43549040
1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea
CID 43551185
N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide
CID 62919603
N-(2-amino-5-propylsulfanylphenyl)-1,4-dioxane-2-carboxamide
CID 62799710
4-propylsulfanylbenzene-1,2-diamine
CID 3017084
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949183
N-(2-amino-4-propylsulfanylphenyl)hydroxylamine
CID 130351484
N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide
CID 20567278
N-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604369
N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995368

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115949182) is N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CCCSc1ccc(N)c(NC(=O)COC(C)(C)C)c1.
What is the InChIKey of N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is JMHNEGZHWMMAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-8-20-11-6-7-12(16)13(9-11)17-14(18)10-19-15(2,3)4/h6-7,9H,5,8,10,16H2,1-4H3,(H,17,18).
What are the key properties of N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 296.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115949182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).