2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide

C24H32FN3O3S — CID 43892823

IUPAC2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
SMILESCCC1CCCCN1CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H32FN3O3S/c1-2-21-9-6-7-17-27(21)18-8-16-26-24(29)19-28(22-14-12-20(25)13-15-22)32(30,31)23-10-4-3-5-11-23/h3-5,10-15,21H,2,6-9,16-19H2,1H3,(H,26,29)
InChIKeyYHOJSNAPMAHETP-UHFFFAOYSA-N
MW461.60 g/mol
LogP3.79
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide (PubChem CID 43892823) has the molecular formula C24H32FN3O3S and a molecular weight of 461.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
PubChem CID43892823
Molecular FormulaC24H32FN3O3S
Molecular Weight461.60 g/mol
Exact Mass461.21
IUPAC Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
SMILESCCC1CCCCN1CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H32FN3O3S/c1-2-21-9-6-7-17-27(21)18-8-16-26-24(29)19-28(22-14-12-20(25)13-15-22)32(30,31)23-10-4-3-5-11-23/h3-5,10-15,21H,2,6-9,16-19H2,1H3,(H,26,29)
InChIKeyYHOJSNAPMAHETP-UHFFFAOYSA-N
XLogP3.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43893316
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43901171
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43905897
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897683
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43898641
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 133200145
N-(3-cyclopentyloxypropyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30249072
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43895236
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 132672994
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43898491
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 11897876

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide (CID 43892823) is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide is CCC1CCCCN1CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The InChIKey is YHOJSNAPMAHETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3S/c1-2-21-9-6-7-17-27(21)18-8-16-26-24(29)19-28(22-14-12-20(25)13-15-22)32(30,31)23-10-4-3-5-11-23/h3-5,10-15,21H,2,6-9,16-19H2,1H3,(H,26,29).
What are the key properties of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide has a molecular weight of 461.60 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 43892823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).