N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide

C15H24N2O2S — CID 107753701

IUPACN-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
SMILESCC(C)C(C)S(=O)CCCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H24N2O2S/c1-11(2)12(3)20(19)10-6-9-15(18)17-14-8-5-4-7-13(14)16/h4-5,7-8,11-12H,6,9-10,16H2,1-3H3,(H,17,18)
InChIKeyQZURKNFGYGWLAZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.78
Rot. Bonds7

About N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide

N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide (PubChem CID 107753701) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
PubChem CID107753701
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
SMILESCC(C)C(C)S(=O)CCCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H24N2O2S/c1-11(2)12(3)20(19)10-6-9-15(18)17-14-8-5-4-7-13(14)16/h4-5,7-8,11-12H,6,9-10,16H2,1-3H3,(H,17,18)
InChIKeyQZURKNFGYGWLAZ-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.78
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-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753724
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639
N-(3-amino-2-methylphenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286429
N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107767023
N-(2-aminophenyl)-2-butylsulfinylpropanamide
CID 61287849
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753768
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
CID 61425903
N-(2-aminophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43271740
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide?
The IUPAC name of N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide (CID 107753701) is N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide is CC(C)C(C)S(=O)CCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide?
The InChIKey is QZURKNFGYGWLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)12(3)20(19)10-6-9-15(18)17-14-8-5-4-7-13(14)16/h4-5,7-8,11-12H,6,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide?
N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide has a molecular weight of 296.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide is sourced from PubChem (CID 107753701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).