N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide

C18H19F3N2O4S — CID 31113542

IUPACN-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccc(OCC(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N2O4S/c1-12-3-6-15(23-13(2)24)9-17(12)28(25,26)22-10-14-4-7-16(8-5-14)27-11-18(19,20)21/h3-9,22H,10-11H2,1-2H3,(H,23,24)
InChIKeyNETZTZATUFDFPP-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.37
Rot. Bonds7

About N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide

N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide (PubChem CID 31113542) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide
PubChem CID31113542
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC NameN-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccc(OCC(F)(F)F)cc2)c1
InChIInChI=1S/C18H19F3N2O4S/c1-12-3-6-15(23-13(2)24)9-17(12)28(25,26)22-10-14-4-7-16(8-5-14)27-11-18(19,20)21/h3-9,22H,10-11H2,1-2H3,(H,23,24)
InChIKeyNETZTZATUFDFPP-UHFFFAOYSA-N
XLogP3.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide
CID 78808557
N-[3-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-4-methylphenyl]acetamide
CID 24656690
4-methoxy-3,5-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide
CID 112823116
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
N-[4-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 55598687
N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide
CID 52502800
3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 86991144
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510085
N-[4-[[2-methyl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]phenyl]acetamide
CID 137483088
N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
CID 39791883
N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
CID 39792806

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide (CID 31113542) is N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccc(OCC(F)(F)F)cc2)c1.
What is the InChIKey of N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is NETZTZATUFDFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-12-3-6-15(23-13(2)24)9-17(12)28(25,26)22-10-14-4-7-16(8-5-14)27-11-18(19,20)21/h3-9,22H,10-11H2,1-2H3,(H,23,24).
What are the key properties of N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide?
N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 416.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 31113542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).