N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide

C19H22FNOS — CID 10382046

IUPACN-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide
SMILESCC(=O)NC(CCCSc1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNOS/c1-14-5-11-18(12-6-14)23-13-3-4-19(21-15(2)22)16-7-9-17(20)10-8-16/h5-12,19H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyLAKFROXEMTVDGV-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.88
Rot. Bonds7

About N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide

N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide (PubChem CID 10382046) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide
PubChem CID10382046
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC NameN-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide
SMILESCC(=O)NC(CCCSc1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNOS/c1-14-5-11-18(12-6-14)23-13-3-4-19(21-15(2)22)16-7-9-17(20)10-8-16/h5-12,19H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyLAKFROXEMTVDGV-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide 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

4-acetamido-4-(4-fluorophenyl)butanoic acid
CID 110671651
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
N-[(1R)-3,3-difluoro-1-(4-fluorophenyl)propyl]acetamide
CID 139050394
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
CID 129412239
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
N-[1-(3-methylphenyl)-2-(4-methylphenyl)sulfanylethyl]acetamide
CID 177471445
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26796353
N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide
CID 143788152
N-[1-(4-chlorophenyl)pentyl]acetamide
CID 23652178
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
methyl 6-(4-fluorophenyl)sulfanylhexanoate
CID 135365967

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide (CID 10382046) is N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide is CC(=O)NC(CCCSc1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide?
The InChIKey is LAKFROXEMTVDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-14-5-11-18(12-6-14)23-13-3-4-19(21-15(2)22)16-7-9-17(20)10-8-16/h5-12,19H,3-4,13H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide?
N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutyl]acetamide is sourced from PubChem (CID 10382046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).