N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide

C13H20N2O3S — CID 61304446

IUPACN-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
SMILESCCCS(=O)CCC(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C13H20N2O3S/c1-3-7-19(17)8-6-13(16)15-11-5-4-10(14)9-12(11)18-2/h4-5,9H,3,6-8,14H2,1-2H3,(H,15,16)
InChIKeyMLAQJKNNPRPAHX-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.76
Rot. Bonds7

About N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide

N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide (PubChem CID 61304446) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
PubChem CID61304446
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
SMILESCCCS(=O)CCC(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C13H20N2O3S/c1-3-7-19(17)8-6-13(16)15-11-5-4-10(14)9-12(11)18-2/h4-5,9H,3,6-8,14H2,1-2H3,(H,15,16)
InChIKeyMLAQJKNNPRPAHX-UHFFFAOYSA-N
XLogP1.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.76
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-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide
CID 61304444
N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753824
N-(4-amino-2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995288
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
CID 63856685
N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 54852878
ethyl 2-[3-(4-amino-2-methoxyanilino)-3-oxopropyl]sulfanylacetate
CID 43618313
N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60886583
N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide
CID 28786654
N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
CID 107753587
N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide
CID 107748558

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide (CID 61304446) is N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide is CCCS(=O)CCC(=O)Nc1ccc(N)cc1OC.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide?
The InChIKey is MLAQJKNNPRPAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-7-19(17)8-6-13(16)15-11-5-4-10(14)9-12(11)18-2/h4-5,9H,3,6-8,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide?
N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide has a molecular weight of 284.38 g/mol, XLogP of 1.76, 7 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)-3-propylsulfinylpropanamide is sourced from PubChem (CID 61304446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).