N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C18H14F2N2OS — CID 4800101

IUPACN-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2c(F)cccc2F)nc2ccccc12
InChIInChI=1S/C18H14F2N2OS/c1-11-9-17(21-15-8-3-2-5-12(11)15)24-10-16(23)22-18-13(19)6-4-7-14(18)20/h2-9H,10H2,1H3,(H,22,23)
InChIKeyWOPOJDAJMKIJBO-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.55
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 4800101) has the molecular formula C18H14F2N2OS and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID4800101
Molecular FormulaC18H14F2N2OS
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2c(F)cccc2F)nc2ccccc12
InChIInChI=1S/C18H14F2N2OS/c1-11-9-17(21-15-8-3-2-5-12(11)15)24-10-16(23)22-18-13(19)6-4-7-14(18)20/h2-9H,10H2,1H3,(H,22,23)
InChIKeyWOPOJDAJMKIJBO-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-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 3948917
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
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-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4798917
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5034835
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 2401714
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 18205272

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 4800101) is N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2c(F)cccc2F)nc2ccccc12.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is WOPOJDAJMKIJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2OS/c1-11-9-17(21-15-8-3-2-5-12(11)15)24-10-16(23)22-18-13(19)6-4-7-14(18)20/h2-9H,10H2,1H3,(H,22,23).
What are the key properties of N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(2,6-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-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 4800101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).