N-(2-aminophenyl)-4-ethylsulfinylbutanamide

C12H18N2O2S — CID 61303639

IUPACN-(2-aminophenyl)-4-ethylsulfinylbutanamide
SMILESCCS(=O)CCCC(=O)Nc1ccccc1N
InChIInChI=1S/C12H18N2O2S/c1-2-17(16)9-5-8-12(15)14-11-7-4-3-6-10(11)13/h3-4,6-7H,2,5,8-9,13H2,1H3,(H,14,15)
InChIKeyYWXLKEBFJXDSNU-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.76
Rot. Bonds6

About N-(2-aminophenyl)-4-ethylsulfinylbutanamide

N-(2-aminophenyl)-4-ethylsulfinylbutanamide (PubChem CID 61303639) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-ethylsulfinylbutanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-ethylsulfinylbutanamide
PubChem CID61303639
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(2-aminophenyl)-4-ethylsulfinylbutanamide
SMILESCCS(=O)CCCC(=O)Nc1ccccc1N
InChIInChI=1S/C12H18N2O2S/c1-2-17(16)9-5-8-12(15)14-11-7-4-3-6-10(11)13/h3-4,6-7H,2,5,8-9,13H2,1H3,(H,14,15)
InChIKeyYWXLKEBFJXDSNU-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753701
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753768
N-(3-amino-4-fluorophenyl)-4-ethylsulfinylbutanamide
CID 61303441
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
N-(2-aminophenyl)-4-[ethyl(propyl)amino]butanamide
CID 43268382
N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide
CID 61302398
N-(3-amino-2-methylphenyl)-3-pentylsulfinylpropanamide
CID 107753558

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-ethylsulfinylbutanamide?
The IUPAC name of N-(2-aminophenyl)-4-ethylsulfinylbutanamide (CID 61303639) is N-(2-aminophenyl)-4-ethylsulfinylbutanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-ethylsulfinylbutanamide?
The canonical SMILES for N-(2-aminophenyl)-4-ethylsulfinylbutanamide is CCS(=O)CCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4-ethylsulfinylbutanamide?
The InChIKey is YWXLKEBFJXDSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-17(16)9-5-8-12(15)14-11-7-4-3-6-10(11)13/h3-4,6-7H,2,5,8-9,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminophenyl)-4-ethylsulfinylbutanamide?
N-(2-aminophenyl)-4-ethylsulfinylbutanamide has a molecular weight of 254.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-ethylsulfinylbutanamide is sourced from PubChem (CID 61303639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).