N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide

C18H14F2N2OS — CID 87033616

IUPACN-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(F)c2cccnc12)Nc1ccccc1F
InChIInChI=1S/C18H14F2N2OS/c19-14-8-7-12(18-13(14)4-3-9-21-18)10-24-11-17(23)22-16-6-2-1-5-15(16)20/h1-9H,10-11H2,(H,22,23)
InChIKeyGCRCCGOXZDQLRW-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.38
Rot. Bonds5

About N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide

N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide (PubChem CID 87033616) has the molecular formula C18H14F2N2OS and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide
PubChem CID87033616
Molecular FormulaC18H14F2N2OS
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(F)c2cccnc12)Nc1ccccc1F
InChIInChI=1S/C18H14F2N2OS/c19-14-8-7-12(18-13(14)4-3-9-21-18)10-24-11-17(23)22-16-6-2-1-5-15(16)20/h1-9H,10-11H2,(H,22,23)
InChIKeyGCRCCGOXZDQLRW-UHFFFAOYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 2534109
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 1174565
N-(2-fluorophenyl)-2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanyl]acetamide
CID 2797163
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 100501688
2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26635770
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(5-fluoroquinolin-8-yl)methylsulfanyl]propanoic acid
CID 113235948
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801
2-[(5-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 43249080
N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 31087396

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide (CID 87033616) is N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide is O=C(CSCc1ccc(F)c2cccnc12)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide?
The InChIKey is GCRCCGOXZDQLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2OS/c19-14-8-7-12(18-13(14)4-3-9-21-18)10-24-11-17(23)22-16-6-2-1-5-15(16)20/h1-9H,10-11H2,(H,22,23).
What are the key properties of N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide?
N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide has a molecular weight of 344.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 87033616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).