2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide

C17H18FNOS — CID 3324372

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCC1=CC=C(C=C1)CNC(=O)CSCC2=CC=C(C=C2)F
InChIInChI=1S/C17H18FNOS/c1-13-2-4-14(5-3-13)10-19-17(20)12-21-11-15-6-8-16(18)9-7-15/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyNBFPLGDWVCGPKN-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.70
Rot. Bonds6

About 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 3324372) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID3324372
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCC1=CC=C(C=C1)CNC(=O)CSCC2=CC=C(C=C2)F
InChIInChI=1S/C17H18FNOS/c1-13-2-4-14(5-3-13)10-19-17(20)12-21-11-15-6-8-16(18)9-7-15/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyNBFPLGDWVCGPKN-UHFFFAOYSA-N
XLogP3.70
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity310

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]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

N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-benzyl-2-phenylsulfanylacetamide
CID 846429
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
N-(1-phenylethyl)-2-(phenylthio)acetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
2-(benzylsulfanyl)-N-(4-methylbenzyl)acetamide
CID 817430
2-[(4-methylphenyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 846869
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenylthio)acetamide
CID 977302
N-(2-phenylethyl)-2-(phenylsulfanyl)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide (CID 3324372) is 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide is CC1=CC=C(C=C1)CNC(=O)CSCC2=CC=C(C=C2)F.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NBFPLGDWVCGPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-13-2-4-14(5-3-13)10-19-17(20)12-21-11-15-6-8-16(18)9-7-15/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 3324372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).