N-(4-aminophenyl)-4-pentylsulfinylbutanamide

C15H24N2O2S — CID 107753588

IUPACN-(4-aminophenyl)-4-pentylsulfinylbutanamide
SMILESCCCCCS(=O)CCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H24N2O2S/c1-2-3-4-11-20(19)12-5-6-15(18)17-14-9-7-13(16)8-10-14/h7-10H,2-6,11-12,16H2,1H3,(H,17,18)
InChIKeySEKKPYYVXFJJEK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.93
Rot. Bonds9

About N-(4-aminophenyl)-4-pentylsulfinylbutanamide

N-(4-aminophenyl)-4-pentylsulfinylbutanamide (PubChem CID 107753588) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-pentylsulfinylbutanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-pentylsulfinylbutanamide
PubChem CID107753588
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(4-aminophenyl)-4-pentylsulfinylbutanamide
SMILESCCCCCS(=O)CCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H24N2O2S/c1-2-3-4-11-20(19)12-5-6-15(18)17-14-9-7-13(16)8-10-14/h7-10H,2-6,11-12,16H2,1H3,(H,17,18)
InChIKeySEKKPYYVXFJJEK-UHFFFAOYSA-N
XLogP2.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-methylsulfinylbutanamide
CID 61288283
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
N-(4-aminophenyl)-4-pentylsulfanylbutanamide
CID 107748509
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-aminophenyl)-4-(cyclopentylmethylsulfinyl)butanamide
CID 63119525
N-(4-aminophenyl)pentacosa-10,12-diynamide
CID 132583016
N-(4-aminophenyl)-3-(dibutylamino)propanamide
CID 28982366
N-(4-acetamidophenyl)hexanamide
CID 4953736
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
CID 107753531
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-pentylsulfinylbutanamide?
The IUPAC name of N-(4-aminophenyl)-4-pentylsulfinylbutanamide (CID 107753588) is N-(4-aminophenyl)-4-pentylsulfinylbutanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-pentylsulfinylbutanamide?
The canonical SMILES for N-(4-aminophenyl)-4-pentylsulfinylbutanamide is CCCCCS(=O)CCCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-pentylsulfinylbutanamide?
The InChIKey is SEKKPYYVXFJJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-3-4-11-20(19)12-5-6-15(18)17-14-9-7-13(16)8-10-14/h7-10H,2-6,11-12,16H2,1H3,(H,17,18).
What are the key properties of N-(4-aminophenyl)-4-pentylsulfinylbutanamide?
N-(4-aminophenyl)-4-pentylsulfinylbutanamide has a molecular weight of 296.44 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-pentylsulfinylbutanamide is sourced from PubChem (CID 107753588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).