5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide

C22H29FN2O4S — CID 55748210

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(COC(C)C)c2)c1
InChIInChI=1S/C22H29FN2O4S/c1-5-25(6-2)30(27,28)19-10-11-21(23)20(13-19)22(26)24-14-17-8-7-9-18(12-17)15-29-16(3)4/h7-13,16H,5-6,14-15H2,1-4H3,(H,24,26)
InChIKeyQAVQYQVBCSSCLI-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.71
Rot. Bonds10

About 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide

5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide (PubChem CID 55748210) has the molecular formula C22H29FN2O4S and a molecular weight of 436.55 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
PubChem CID55748210
Molecular FormulaC22H29FN2O4S
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(COC(C)C)c2)c1
InChIInChI=1S/C22H29FN2O4S/c1-5-25(6-2)30(27,28)19-10-11-21(23)20(13-19)22(26)24-14-17-8-7-9-18(12-17)15-29-16(3)4/h7-13,16H,5-6,14-15H2,1-4H3,(H,24,26)
InChIKeyQAVQYQVBCSSCLI-UHFFFAOYSA-N
XLogP3.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55869937
N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
CID 34446965
N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 9165368
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55814454
5-(diethylsulfamoyl)-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9301737
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 55423845
5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61138112
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26102432
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide (CID 55748210) is 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(COC(C)C)c2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The InChIKey is QAVQYQVBCSSCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O4S/c1-5-25(6-2)30(27,28)19-10-11-21(23)20(13-19)22(26)24-14-17-8-7-9-18(12-17)15-29-16(3)4/h7-13,16H,5-6,14-15H2,1-4H3,(H,24,26).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide has a molecular weight of 436.55 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55748210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).