5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

C22H21F3N2O4S — CID 55550260

IUPAC5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C22H21F3N2O4S/c1-15-9-10-18(32(29,30)26-13-17-7-5-11-31-17)12-19(15)21(28)27(2)14-16-6-3-4-8-20(16)22(23,24)25/h3-12,26H,13-14H2,1-2H3
InChIKeyAFWTXTNOZQLBCR-UHFFFAOYSA-N
MW466.48 g/mol
LogP4.36
Rot. Bonds7

About 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 55550260) has the molecular formula C22H21F3N2O4S and a molecular weight of 466.48 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID55550260
Molecular FormulaC22H21F3N2O4S
Molecular Weight466.48 g/mol
Exact Mass466.12
IUPAC Name5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C22H21F3N2O4S/c1-15-9-10-18(32(29,30)26-13-17-7-5-11-31-17)12-19(15)21(28)27(2)14-16-6-3-4-8-20(16)22(23,24)25/h3-12,26H,13-14H2,1-2H3
InChIKeyAFWTXTNOZQLBCR-UHFFFAOYSA-N
XLogP4.36
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 35155749
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 55454491
N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27739527
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
5-(benzylsulfamoyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4808865
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 4794636
3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 75429428
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 33495265
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 55550260) is 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is AFWTXTNOZQLBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O4S/c1-15-9-10-18(32(29,30)26-13-17-7-5-11-31-17)12-19(15)21(28)27(2)14-16-6-3-4-8-20(16)22(23,24)25/h3-12,26H,13-14H2,1-2H3.
What are the key properties of 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 466.48 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55550260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).