5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide

C20H19FN2O3S2 — CID 23848292

IUPAC5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)NCc2cccs2)c1
InChIInChI=1S/C20H19FN2O3S2/c1-2-23(15-7-4-3-5-8-15)28(25,26)17-10-11-19(21)18(13-17)20(24)22-14-16-9-6-12-27-16/h3-13H,2,14H2,1H3,(H,22,24)
InChIKeyXXKZEPYKDIYHQW-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.03
Rot. Bonds7

About 5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide

5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 23848292) has the molecular formula C20H19FN2O3S2 and a molecular weight of 418.52 g/mol. Its IUPAC name is 5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID23848292
Molecular FormulaC20H19FN2O3S2
Molecular Weight418.52 g/mol
Exact Mass418.08
IUPAC Name5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)NCc2cccs2)c1
InChIInChI=1S/C20H19FN2O3S2/c1-2-23(15-7-4-3-5-8-15)28(25,26)17-10-11-19(21)18(13-17)20(24)22-14-16-9-6-12-27-16/h3-13H,2,14H2,1H3,(H,22,24)
InChIKeyXXKZEPYKDIYHQW-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 4814342
2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 2675123
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
CID 4119863
5-(diethylsulfamoyl)-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9301737
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205
3-[ethyl(phenyl)sulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 31281999
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 39050613

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide (CID 23848292) is 5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)NCc2cccs2)c1.
What is the InChIKey of 5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is XXKZEPYKDIYHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S2/c1-2-23(15-7-4-3-5-8-15)28(25,26)17-10-11-19(21)18(13-17)20(24)22-14-16-9-6-12-27-16/h3-13H,2,14H2,1H3,(H,22,24).
What are the key properties of 5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(phenyl)sulfamoyl]-2-fluoro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 23848292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).