N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C18H14F2N2OS — CID 3948917

IUPACN-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc12
InChIInChI=1S/C18H14F2N2OS/c1-11-8-18(22-15-5-3-2-4-13(11)15)24-10-17(23)21-16-7-6-12(19)9-14(16)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyUNSDOPUWHAHHKB-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.55
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 3948917) has the molecular formula C18H14F2N2OS and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID3948917
Molecular FormulaC18H14F2N2OS
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc12
InChIInChI=1S/C18H14F2N2OS/c1-11-8-18(22-15-5-3-2-4-13(11)15)24-10-17(23)21-16-7-6-12(19)9-14(16)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyUNSDOPUWHAHHKB-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
2-[6-(diethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-(2,4-difluorophenyl)acetamide
CID 51345581
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 18205272
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(2,4-difluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4673947
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39765940

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 3948917) is N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc12.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is UNSDOPUWHAHHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2OS/c1-11-8-18(22-15-5-3-2-4-13(11)15)24-10-17(23)21-16-7-6-12(19)9-14(16)20/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 344.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3948917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).