N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide

C18H19F3N2O4S — CID 31821752

IUPACN-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)Cc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O4S/c1-12-8-9-15(22-13(2)24)10-17(12)28(25,26)23(3)11-14-6-4-5-7-16(14)27-18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyPXPIKLCDZSGYFO-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.67
Rot. Bonds6

About N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide

N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide (PubChem CID 31821752) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide
PubChem CID31821752
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC NameN-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)Cc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O4S/c1-12-8-9-15(22-13(2)24)10-17(12)28(25,26)23(3)11-14-6-4-5-7-16(14)27-18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyPXPIKLCDZSGYFO-UHFFFAOYSA-N
XLogP3.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
CID 9320671
2-[(5-acetamido-2-methylphenyl)sulfonyl-methylamino]acetic acid
CID 60651397
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide
CID 52561453
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 62735221
3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55549968
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 4280881
3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 55681731
N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 55543882
N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 31075623

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide (CID 31821752) is N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)Cc2ccccc2OC(F)(F)F)c1.
What is the InChIKey of N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide?
The InChIKey is PXPIKLCDZSGYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-12-8-9-15(22-13(2)24)10-17(12)28(25,26)23(3)11-14-6-4-5-7-16(14)27-18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide?
N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide has a molecular weight of 416.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 31821752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).