N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide

C18H20F2N2O4S — CID 55607654

IUPACN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)S(C)(=O)=O
InChIInChI=1S/C18H20F2N2O4S/c1-22(27(2,24)25)12-17(23)21-15-8-9-16(26-18(19)20)14(11-15)10-13-6-4-3-5-7-13/h3-9,11,18H,10,12H2,1-2H3,(H,21,23)
InChIKeyQVGLDPFERGLJHR-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.71
Rot. Bonds8

About N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 55607654) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID55607654
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)S(C)(=O)=O
InChIInChI=1S/C18H20F2N2O4S/c1-22(27(2,24)25)12-17(23)21-15-8-9-16(26-18(19)20)14(11-15)10-13-6-4-3-5-7-13/h3-9,11,18H,10,12H2,1-2H3,(H,21,23)
InChIKeyQVGLDPFERGLJHR-UHFFFAOYSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide
CID 134032534
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)acetamide
CID 18288051
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide
CID 24624799
N-[3-benzyl-4-(difluoromethoxy)phenyl]-3-methylsulfonylbenzamide
CID 24525215
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 18205374
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18207459
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 24525173
N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 25352955
N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18289944
N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 55447606
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18274238
N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18228128

Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 55607654) is N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is QVGLDPFERGLJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-22(27(2,24)25)12-17(23)21-15-8-9-16(26-18(19)20)14(11-15)10-13-6-4-3-5-7-13/h3-9,11,18H,10,12H2,1-2H3,(H,21,23).
What are the key properties of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 398.43 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 55607654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).