N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide

C18H20FNO3S — CID 56782186

IUPACN-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide
SMILESCCS(=O)(=O)CCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F
InChIInChI=1S/C18H20FNO3S/c1-3-24(22,23)11-10-20-18(21)16-9-8-15(12-17(16)19)14-6-4-13(2)5-7-14/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyXUIYKVYVZAHVBO-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.97
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide

N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide (PubChem CID 56782186) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide
PubChem CID56782186
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide
SMILESCCS(=O)(=O)CCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F
InChIInChI=1S/C18H20FNO3S/c1-3-24(22,23)11-10-20-18(21)16-9-8-15(12-17(16)19)14-6-4-13(2)5-7-14/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyXUIYKVYVZAHVBO-UHFFFAOYSA-N
XLogP2.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide (CID 56782186) is N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide is CCS(=O)(=O)CCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide?
The InChIKey is XUIYKVYVZAHVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-3-24(22,23)11-10-20-18(21)16-9-8-15(12-17(16)19)14-6-4-13(2)5-7-14/h4-9,12H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide?
N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2-fluoro-4-(4-methylphenyl)benzamide is sourced from PubChem (CID 56782186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).