N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

C23H23F3N2O5S — CID 55368442

IUPACN-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N(Cc2ccco2)CC(F)(F)F)c1
InChIInChI=1S/C23H23F3N2O5S/c1-16-10-11-18(34(30,31)27(2)20-8-4-5-9-21(20)32-3)13-19(16)22(29)28(15-23(24,25)26)14-17-7-6-12-33-17/h4-13H,14-15H2,1-3H3
InChIKeyQKPAXJFOZHGGIU-UHFFFAOYSA-N
MW496.51 g/mol
LogP4.63
Rot. Bonds8

About N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55368442) has the molecular formula C23H23F3N2O5S and a molecular weight of 496.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55368442
Molecular FormulaC23H23F3N2O5S
Molecular Weight496.51 g/mol
Exact Mass496.13
IUPAC NameN-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N(Cc2ccco2)CC(F)(F)F)c1
InChIInChI=1S/C23H23F3N2O5S/c1-16-10-11-18(34(30,31)27(2)20-8-4-5-9-21(20)32-3)13-19(16)22(29)28(15-23(24,25)26)14-17-7-6-12-33-17/h4-13H,14-15H2,1-3H3
InChIKeyQKPAXJFOZHGGIU-UHFFFAOYSA-N
XLogP4.63
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 38452304
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 31444413
N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 37391756
N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide
CID 55510143
N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46586819
N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120507374
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 41157051
N-(furan-2-ylmethyl)-N,2-dimethyl-5-methylsulfonylbenzamide
CID 27739527
methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate
CID 100686080
N-[4-[(2-methoxyacetyl)amino]phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 35332560

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 55368442) is N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N(Cc2ccco2)CC(F)(F)F)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is QKPAXJFOZHGGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O5S/c1-16-10-11-18(34(30,31)27(2)20-8-4-5-9-21(20)32-3)13-19(16)22(29)28(15-23(24,25)26)14-17-7-6-12-33-17/h4-13H,14-15H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 496.51 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55368442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).