N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide

C20H18F2N2OS — CID 87033588

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cc(F)cc2cccnc12)NCCc1ccc(F)cc1
InChIInChI=1S/C20H18F2N2OS/c21-17-5-3-14(4-6-17)7-9-23-19(25)13-26-12-16-11-18(22)10-15-2-1-8-24-20(15)16/h1-6,8,10-11H,7,9,12-13H2,(H,23,25)
InChIKeyNNUFXLCZBWIORG-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.11
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide (PubChem CID 87033588) has the molecular formula C20H18F2N2OS and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide
PubChem CID87033588
Molecular FormulaC20H18F2N2OS
Molecular Weight372.44 g/mol
Exact Mass372.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cc(F)cc2cccnc12)NCCc1ccc(F)cc1
InChIInChI=1S/C20H18F2N2OS/c21-17-5-3-14(4-6-17)7-9-23-19(25)13-26-12-16-11-18(22)10-15-2-1-8-24-20(15)16/h1-6,8,10-11H,7,9,12-13H2,(H,23,25)
InChIKeyNNUFXLCZBWIORG-UHFFFAOYSA-N
XLogP4.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]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

(2R)-2-amino-3-[(6-fluoroquinolin-8-yl)methylsulfanyl]propanoic acid
CID 61141175
8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline
CID 66289908
2-(4-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149228
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 94726162
(2R)-3-[(6-fluoroquinolin-8-yl)methylsulfanyl]propane-1,2-diol
CID 97079677
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 3440656
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30101688
N-[2-(4-fluorophenyl)ethyl]-2-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methylsulfanyl]acetamide
CID 145363297
2-naphthalen-2-yl-N-(2-quinolin-8-ylethyl)acetamide
CID 51112165
8-[2-(4-fluorophenyl)ethyl]quinoline
CID 143373037
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-yloxyacetamide
CID 110487949
1-N-[2-(4-fluorophenyl)ethyl]-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108977537

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide (CID 87033588) is N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide is O=C(CSCc1cc(F)cc2cccnc12)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide?
The InChIKey is NNUFXLCZBWIORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2OS/c21-17-5-3-14(4-6-17)7-9-23-19(25)13-26-12-16-11-18(22)10-15-2-1-8-24-20(15)16/h1-6,8,10-11H,7,9,12-13H2,(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide has a molecular weight of 372.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 87033588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).