N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide

C15H21FN2OS — CID 60884491

IUPACN-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide
SMILESNc1ccc(F)c(NC(=O)CCSC2CCCCC2)c1
InChIInChI=1S/C15H21FN2OS/c16-13-7-6-11(17)10-14(13)18-15(19)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2,(H,18,19)
InChIKeyTXGPQBDKIVSIOJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.80
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide

N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide (PubChem CID 60884491) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide
PubChem CID60884491
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC NameN-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide
SMILESNc1ccc(F)c(NC(=O)CCSC2CCCCC2)c1
InChIInChI=1S/C15H21FN2OS/c16-13-7-6-11(17)10-14(13)18-15(19)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2,(H,18,19)
InChIKeyTXGPQBDKIVSIOJ-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide 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

3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 23804460
N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107748281
N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322587
N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide
CID 60884706
N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide
CID 106199880
methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfanylacetate
CID 43617946
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide
CID 63119729
N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide
CID 107748890
N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886574
N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886349
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(5-amino-2-fluorophenyl)acetamide
CID 82751891

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide (CID 60884491) is N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide is Nc1ccc(F)c(NC(=O)CCSC2CCCCC2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide?
The InChIKey is TXGPQBDKIVSIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c16-13-7-6-11(17)10-14(13)18-15(19)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2,(H,18,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide?
N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide has a molecular weight of 296.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide is sourced from PubChem (CID 60884491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).