N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide

C16H16FNOS — CID 4281207

IUPACN-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccccc1F)NCc1ccccc1
InChIInChI=1S/C16H16FNOS/c17-15-9-5-4-8-14(15)11-20-12-16(19)18-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)
InChIKeyWOWZPBSQXDLQML-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.38
Rot. Bonds6

About N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide

N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 4281207) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide
PubChem CID4281207
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccccc1F)NCc1ccccc1
InChIInChI=1S/C16H16FNOS/c17-15-9-5-4-8-14(15)11-20-12-16(19)18-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)
InChIKeyWOWZPBSQXDLQML-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
6-Phenylthiomorpholin-3-one
CID 20242416
N-benzyl-2-(phenylthio)acetamide
CID 846429
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
2-[(2-chloro-6-fluorobenzyl)thio]-N-(2-phenylethyl)acetamide
CID 961752

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide (CID 4281207) is N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccccc1F)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is WOWZPBSQXDLQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c17-15-9-5-4-8-14(15)11-20-12-16(19)18-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19).
What are the key properties of N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 4281207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).