N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C21H20F2N2O5S — CID 46655328

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCCc1ccc(OC(F)F)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H20F2N2O5S/c22-21(23)30-17-7-3-15(4-8-17)11-12-24-20(26)16-5-9-19(10-6-16)31(27,28)25-14-18-2-1-13-29-18/h1-10,13,21,25H,11-12,14H2,(H,24,26)
InChIKeyASRBAHVJLAPQEV-UHFFFAOYSA-N
MW450.46 g/mol
LogP3.33
Rot. Bonds10

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 46655328) has the molecular formula C21H20F2N2O5S and a molecular weight of 450.46 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID46655328
Molecular FormulaC21H20F2N2O5S
Molecular Weight450.46 g/mol
Exact Mass450.11
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCCc1ccc(OC(F)F)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H20F2N2O5S/c22-21(23)30-17-7-3-15(4-8-17)11-12-24-20(26)16-5-9-19(10-6-16)31(27,28)25-14-18-2-1-13-29-18/h1-10,13,21,25H,11-12,14H2,(H,24,26)
InChIKeyASRBAHVJLAPQEV-UHFFFAOYSA-N
XLogP3.33
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9217544
4-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2409383
2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 51291262
4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55868652
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide
CID 46612917
4-(furan-2-ylmethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 24547189
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 46655328) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is O=C(NCCc1ccc(OC(F)F)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is ASRBAHVJLAPQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O5S/c22-21(23)30-17-7-3-15(4-8-17)11-12-24-20(26)16-5-9-19(10-6-16)31(27,28)25-14-18-2-1-13-29-18/h1-10,13,21,25H,11-12,14H2,(H,24,26).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 450.46 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 46655328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).