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

C17H18FNO2S — CID 46424836

IUPAC2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccc(CNC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-21-11-14-4-2-13(3-5-14)10-19-17(20)12-22-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyHMKIXSSGJPEKHP-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.38
Rot. Bonds7

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

2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 46424836) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID46424836
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccc(CNC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-21-11-14-4-2-13(3-5-14)10-19-17(20)12-22-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyHMKIXSSGJPEKHP-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-[(2-phenylsulfanylpropanoylamino)methyl]benzoate
CID 16298128
Methyl 4-[[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]sulfanylmethyl]benzoate
CID 42919091
N-[(R)-2-methoxy-2-phenylbutyl](p-fluorophenylthio)acetamide
CID 97428592
N-[(R)-2-(2-hydroxyethoxy)-2-(p-tolyl)ethyl](p-fluorophenylthio)acetamide
CID 97548820
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl](benzylthio)acetamide
CID 97553399
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]3-(phenylthio)propionamide
CID 97553403
Amino-[4-[2-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]ethyl]phenyl]methanediolate
CID 59286470
(E)-N-(3-(3-(4-(benzyloxy)butylthio)phenyl)allyl)-2,2,2-trifluoroacetamide
CID 86640890
2,2,2-trifluoro-N-[3-[3-(4-phenylmethoxybutylsulfanyl)phenyl]propyl]acetamide
CID 87281272
2,2,2-trifluoro-N-[3-[3-(4-phenylmethoxybutylsulfanyl)phenyl]prop-2-enyl]acetamide
CID 91082799
benzyl N-[3-[(R)-(4-fluorophenyl)sulfinyl]propyl]-N-[(4-methylphenyl)methyl]carbamate
CID 134374241
17-Fluoro-10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(15),3,5,7,16,18-hexaene
CID 143753149

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide (CID 46424836) is 2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide is COCc1ccc(CNC(=O)CSc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is HMKIXSSGJPEKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-21-11-14-4-2-13(3-5-14)10-19-17(20)12-22-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[[4-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 46424836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).