N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C18H15FN2OS — CID 755909

IUPACN-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2F)nc2ccccc12
InChIInChI=1S/C18H15FN2OS/c1-12-10-18(21-15-8-4-2-6-13(12)15)23-11-17(22)20-16-9-5-3-7-14(16)19/h2-10H,11H2,1H3,(H,20,22)
InChIKeyTTZHDAUXQBPFCZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.41
Rot. Bonds4

About N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 755909) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID755909
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC NameN-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2F)nc2ccccc12
InChIInChI=1S/C18H15FN2OS/c1-12-10-18(21-15-8-4-2-6-13(12)15)23-11-17(22)20-16-9-5-3-7-14(16)19/h2-10H,11H2,1H3,(H,20,22)
InChIKeyTTZHDAUXQBPFCZ-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 3948917
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
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-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 27624686
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175331
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39765940
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5034835

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 755909) is N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2ccccc2F)nc2ccccc12.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is TTZHDAUXQBPFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-12-10-18(21-15-8-4-2-6-13(12)15)23-11-17(22)20-16-9-5-3-7-14(16)19/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 326.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 755909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).