N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide

C16H24N2OS — CID 60884706

IUPACN-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide
SMILESNc1ccccc1NC(=O)CCCSC1CCCCC1
InChIInChI=1S/C16H24N2OS/c17-14-9-4-5-10-15(14)18-16(19)11-6-12-20-13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12,17H2,(H,18,19)
InChIKeyOZUHHTILURJMDE-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.05
Rot. Bonds6

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

N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide (PubChem CID 60884706) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide
PubChem CID60884706
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide
SMILESNc1ccccc1NC(=O)CCCSC1CCCCC1
InChIInChI=1S/C16H24N2OS/c17-14-9-4-5-10-15(14)18-16(19)11-6-12-20-13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12,17H2,(H,18,19)
InChIKeyOZUHHTILURJMDE-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
CID 63114529
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60884491
3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide
CID 23917473
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 23804460
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
N-(2-amino-4-fluorophenyl)-4-(oxan-4-ylsulfanyl)butanamide
CID 62994992
N-[2-(4-aminobutanoylamino)phenyl]cyclohexanecarboxamide
CID 39192948
N-(2-aminophenyl)octadecanamide
CID 68839220

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide?
The IUPAC name of N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide (CID 60884706) is N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide?
The canonical SMILES for N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide is Nc1ccccc1NC(=O)CCCSC1CCCCC1.
What is the InChIKey of N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide?
The InChIKey is OZUHHTILURJMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c17-14-9-4-5-10-15(14)18-16(19)11-6-12-20-13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12,17H2,(H,18,19).
What are the key properties of N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide?
N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide has a molecular weight of 292.45 g/mol, XLogP of 4.05, 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-cyclohexylsulfanylbutanamide is sourced from PubChem (CID 60884706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).