N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide

C15H23ClN2O2S — CID 107753724

IUPACN-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
SMILESCC(C)C(C)S(=O)CCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C15H23ClN2O2S/c1-10(2)11(3)21(20)8-4-5-15(19)18-14-7-6-12(16)9-13(14)17/h6-7,9-11H,4-5,8,17H2,1-3H3,(H,18,19)
InChIKeyYQMFZXYJCGCSQX-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.43
Rot. Bonds7

About N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide

N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide (PubChem CID 107753724) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
PubChem CID107753724
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
SMILESCC(C)C(C)S(=O)CCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C15H23ClN2O2S/c1-10(2)11(3)21(20)8-4-5-15(19)18-14-7-6-12(16)9-13(14)17/h6-7,9-11H,4-5,8,17H2,1-3H3,(H,18,19)
InChIKeyYQMFZXYJCGCSQX-UHFFFAOYSA-N
XLogP3.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.43
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-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide
CID 61304444
N-(2-amino-4-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753534
N-(2-amino-5-chlorophenyl)-3-propan-2-ylsulfinylpropanamide
CID 61287045
N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753902
N-(2-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107749008
N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496
N-(3-amino-4-chlorophenyl)-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107753655
N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286836
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide (CID 107753724) is N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide is CC(C)C(C)S(=O)CCCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide?
The InChIKey is YQMFZXYJCGCSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-10(2)11(3)21(20)8-4-5-15(19)18-14-7-6-12(16)9-13(14)17/h6-7,9-11H,4-5,8,17H2,1-3H3,(H,18,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide?
N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide has a molecular weight of 330.88 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide is sourced from PubChem (CID 107753724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).