2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide

C18H20FNO2S — CID 134021325

IUPAC2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO2S/c1-13(15-6-8-16(19)9-7-15)23-12-18(21)20-11-14-4-3-5-17(10-14)22-2/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyDILVFWNODJPFLX-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.94
Rot. Bonds7

About 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 134021325) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID134021325
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H20FNO2S/c1-13(15-6-8-16(19)9-7-15)23-12-18(21)20-11-14-4-3-5-17(10-14)22-2/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyDILVFWNODJPFLX-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 47023736
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 87037661
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
2-(3-amino-2-methylpropyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 66225874
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60540976
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7650921
N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108946382
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525932
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 134021325) is 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CSC(C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is DILVFWNODJPFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-13(15-6-8-16(19)9-7-15)23-12-18(21)20-11-14-4-3-5-17(10-14)22-2/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 134021325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).