N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide

C16H16FNO2S — CID 123100558

IUPACN-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide
SMILESO=C(CS(=O)Cc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C16H16FNO2S/c17-15-8-6-14(7-9-15)11-21(20)12-16(19)18-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19)
InChIKeyPSPAFWGQKOUJEX-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.39
Rot. Bonds6

About N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide

N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide (PubChem CID 123100558) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide
PubChem CID123100558
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide
SMILESO=C(CS(=O)Cc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C16H16FNO2S/c17-15-8-6-14(7-9-15)11-21(20)12-16(19)18-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19)
InChIKeyPSPAFWGQKOUJEX-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]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-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
CID 96548273
2-[(R)-(4-fluorophenyl)methylsulfinyl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 95763756
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42852618
N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383
2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 110005672
N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
CID 110005569
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
CID 95326812
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide?
The IUPAC name of N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide (CID 123100558) is N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide?
The canonical SMILES for N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide is O=C(CS(=O)Cc1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide?
The InChIKey is PSPAFWGQKOUJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-15-8-6-14(7-9-15)11-21(20)12-16(19)18-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19).
What are the key properties of N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide?
N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide has a molecular weight of 305.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 123100558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).