4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide

C17H26FNO3S — CID 110355296

IUPAC4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide
SMILESCCC(CC)C(CC(=O)NCCS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO3S/c1-4-13(5-2)16(14-6-8-15(18)9-7-14)12-17(20)19-10-11-23(3,21)22/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyNXDXEDNRUYNCLG-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.90
Rot. Bonds9

About 4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide

4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide (PubChem CID 110355296) has the molecular formula C17H26FNO3S and a molecular weight of 343.46 g/mol. Its IUPAC name is 4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide.

Molecular Properties

Compound Name4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide
PubChem CID110355296
Molecular FormulaC17H26FNO3S
Molecular Weight343.46 g/mol
Exact Mass343.16
IUPAC Name4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide
SMILESCCC(CC)C(CC(=O)NCCS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO3S/c1-4-13(5-2)16(14-6-8-15(18)9-7-14)12-17(20)19-10-11-23(3,21)22/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyNXDXEDNRUYNCLG-UHFFFAOYSA-N
XLogP2.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-4-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 110355279
3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide
CID 110354796
3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide
CID 110357206
(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide
CID 99929803
(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782888
3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110610148
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide
CID 110355468
(3S)-N-(3-ethoxypropyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100783250
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
3-cyclohexyl-3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110354814
2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 79437654

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide?
The IUPAC name of 4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide (CID 110355296) is 4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide.
What is the SMILES notation for 4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide?
The canonical SMILES for 4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide is CCC(CC)C(CC(=O)NCCS(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide?
The InChIKey is NXDXEDNRUYNCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO3S/c1-4-13(5-2)16(14-6-8-15(18)9-7-14)12-17(20)19-10-11-23(3,21)22/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,20).
What are the key properties of 4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide?
4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide has a molecular weight of 343.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide is sourced from PubChem (CID 110355296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).