N-(4-aminophenyl)-4-pentylsulfanylbutanamide

C15H24N2OS — CID 107748509

IUPACN-(4-aminophenyl)-4-pentylsulfanylbutanamide
SMILESCCCCCSCCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H24N2OS/c1-2-3-4-11-19-12-5-6-15(18)17-14-9-7-13(16)8-10-14/h7-10H,2-6,11-12,16H2,1H3,(H,17,18)
InChIKeyMBECEVBMBXJOOR-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.91
Rot. Bonds9

About N-(4-aminophenyl)-4-pentylsulfanylbutanamide

N-(4-aminophenyl)-4-pentylsulfanylbutanamide (PubChem CID 107748509) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-pentylsulfanylbutanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-pentylsulfanylbutanamide
PubChem CID107748509
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(4-aminophenyl)-4-pentylsulfanylbutanamide
SMILESCCCCCSCCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H24N2OS/c1-2-3-4-11-19-12-5-6-15(18)17-14-9-7-13(16)8-10-14/h7-10H,2-6,11-12,16H2,1H3,(H,17,18)
InChIKeyMBECEVBMBXJOOR-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.91
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-(4-aminophenyl)phenyl]pentanamide
CID 90390735
N-(4-aminophenyl)-4-pentylsulfinylbutanamide
CID 107753588
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(3-amino-4-chlorophenyl)-3-pentylsulfanylpropanamide
CID 107748453
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
4-pentylsulfanylbutanehydrazide
CID 107760917
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980
N-[4-[2-[3,5-bis[2-[4-(decanoylamino)phenyl]ethynyl]phenyl]ethynyl]phenyl]decanamide
CID 132538113

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-pentylsulfanylbutanamide?
The IUPAC name of N-(4-aminophenyl)-4-pentylsulfanylbutanamide (CID 107748509) is N-(4-aminophenyl)-4-pentylsulfanylbutanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-pentylsulfanylbutanamide?
The canonical SMILES for N-(4-aminophenyl)-4-pentylsulfanylbutanamide is CCCCCSCCCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-pentylsulfanylbutanamide?
The InChIKey is MBECEVBMBXJOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-3-4-11-19-12-5-6-15(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-pentylsulfanylbutanamide?
N-(4-aminophenyl)-4-pentylsulfanylbutanamide has a molecular weight of 280.44 g/mol, XLogP of 3.91, 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-pentylsulfanylbutanamide is sourced from PubChem (CID 107748509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).