N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

C18H21FN2OS — CID 9221410

IUPACN-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C18H21FN2OS/c1-13-4-9-17(16(19)10-13)20-18(22)12-21(2)11-14-5-7-15(23-3)8-6-14/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyCDDSDGRIDMAAEE-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.93
Rot. Bonds6

About N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (PubChem CID 9221410) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
PubChem CID9221410
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C18H21FN2OS/c1-13-4-9-17(16(19)10-13)20-18(22)12-21(2)11-14-5-7-15(23-3)8-6-14/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyCDDSDGRIDMAAEE-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8901380
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8746746
N-(2-fluoro-4-methylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054134
2-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9198919
N-(3-chloro-2-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2472619
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2438629
N-(4-chlorophenyl)-2-[[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167331
N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 36799477
N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 8594676
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 4818902
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 18127200
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 9023972

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (CID 9221410) is N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is CSc1ccc(CN(C)CC(=O)Nc2ccc(C)cc2F)cc1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The InChIKey is CDDSDGRIDMAAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-13-4-9-17(16(19)10-13)20-18(22)12-21(2)11-14-5-7-15(23-3)8-6-14/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide has a molecular weight of 332.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 9221410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).