2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide

C17H18FNO3S — CID 71917075

IUPAC2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccc(CNC(=O)CS(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H18FNO3S/c1-22-11-14-8-6-13(7-9-14)10-19-17(20)12-23(21)16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyGOMIJIPSLGCLBV-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.40
Rot. Bonds7

About 2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide

2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 71917075) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID71917075
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccc(CNC(=O)CS(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H18FNO3S/c1-22-11-14-8-6-13(7-9-14)10-19-17(20)12-23(21)16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyGOMIJIPSLGCLBV-UHFFFAOYSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-(2-fluorophenyl)sulfinyl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 97063129
N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide
CID 81320395
N-[3-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 75887806
1-fluoro-2-(methoxymethylsulfinyl)benzene
CID 65364545
methyl 3-(2-fluorophenyl)sulfinylpropanoate
CID 61303739
2-[(R)-[4-(methoxymethyl)phenyl]sulfinyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 97073247
2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46415948
2-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065353
N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide
CID 123100558
2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide (CID 71917075) is 2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide is COCc1ccc(CNC(=O)CS(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is GOMIJIPSLGCLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-22-11-14-8-6-13(7-9-14)10-19-17(20)12-23(21)16-5-3-2-4-15(16)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfinyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 71917075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).