N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide

C23H22F2N2O5S — CID 25352955

IUPACN-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1
InChIInChI=1S/C23H22F2N2O5S/c1-15(28)26-18-8-11-21(31-2)22(14-18)33(29,30)27-19-9-10-20(32-23(24)25)17(13-19)12-16-6-4-3-5-7-16/h3-11,13-14,23,27H,12H2,1-2H3,(H,26,28)
InChIKeyFDUXLHLVXBWJRW-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.65
Rot. Bonds9

About N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide

N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide (PubChem CID 25352955) has the molecular formula C23H22F2N2O5S and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
PubChem CID25352955
Molecular FormulaC23H22F2N2O5S
Molecular Weight476.50 g/mol
Exact Mass476.12
IUPAC NameN-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1
InChIInChI=1S/C23H22F2N2O5S/c1-15(28)26-18-8-11-21(31-2)22(14-18)33(29,30)27-19-9-10-20(32-23(24)25)17(13-19)12-16-6-4-3-5-7-16/h3-11,13-14,23,27H,12H2,1-2H3,(H,26,28)
InChIKeyFDUXLHLVXBWJRW-UHFFFAOYSA-N
XLogP4.65
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17404307
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide
CID 24624799
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 18205374
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55607654
N-[3-[(3-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952377
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide
CID 134032534
N-[3-benzyl-4-(difluoromethoxy)phenyl]-3-methylsulfonylbenzamide
CID 24525215
2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 55539818
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 167948439
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)acetamide
CID 18288051
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide (CID 25352955) is N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1.
What is the InChIKey of N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide?
The InChIKey is FDUXLHLVXBWJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O5S/c1-15(28)26-18-8-11-21(31-2)22(14-18)33(29,30)27-19-9-10-20(32-23(24)25)17(13-19)12-16-6-4-3-5-7-16/h3-11,13-14,23,27H,12H2,1-2H3,(H,26,28).
What are the key properties of N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide?
N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide has a molecular weight of 476.50 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 25352955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).