3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide

C14H21FN2O3S — CID 110354796

IUPAC3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide
SMILESCCC(CC(=O)NCCS(=O)(=O)NC)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3S/c1-3-11(12-4-6-13(15)7-5-12)10-14(18)17-8-9-21(19,20)16-2/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyZUDMVHUAOBGAOF-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.37
Rot. Bonds8

About 3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide

3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide (PubChem CID 110354796) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide
PubChem CID110354796
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide
SMILESCCC(CC(=O)NCCS(=O)(=O)NC)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3S/c1-3-11(12-4-6-13(15)7-5-12)10-14(18)17-8-9-21(19,20)16-2/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyZUDMVHUAOBGAOF-UHFFFAOYSA-N
XLogP1.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide
CID 110355468
3-cyclohexyl-3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110354814
4-ethyl-3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)hexanamide
CID 110355296
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 110353187
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110354780
3-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119177620
(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide
CID 99929803
3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide
CID 110355420
3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide
CID 110310402
N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618375
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
3-(4-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)pentanamide
CID 110609958

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide (CID 110354796) is 3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide is CCC(CC(=O)NCCS(=O)(=O)NC)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide?
The InChIKey is ZUDMVHUAOBGAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-3-11(12-4-6-13(15)7-5-12)10-14(18)17-8-9-21(19,20)16-2/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide?
3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide has a molecular weight of 316.40 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide is sourced from PubChem (CID 110354796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).