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

C20H33FN4O3S — CID 43905897

IUPAC2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
SMILESCCC1CCCCN1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C
InChIInChI=1S/C20H33FN4O3S/c1-4-17-10-7-8-14-24(17)15-9-13-22-20(26)16-25(29(27,28)23(2)3)19-12-6-5-11-18(19)21/h5-6,11-12,17H,4,7-10,13-16H2,1-3H3,(H,22,26)
InChIKeyMYUSUXHKAZCNSV-UHFFFAOYSA-N
MW428.57 g/mol
LogP2.21
Rot. Bonds10

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

2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide (PubChem CID 43905897) has the molecular formula C20H33FN4O3S and a molecular weight of 428.57 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
PubChem CID43905897
Molecular FormulaC20H33FN4O3S
Molecular Weight428.57 g/mol
Exact Mass428.23
IUPAC Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
SMILESCCC1CCCCN1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C
InChIInChI=1S/C20H33FN4O3S/c1-4-17-10-7-8-14-24(17)15-9-13-22-20(26)16-25(29(27,28)23(2)3)19-12-6-5-11-18(19)21/h5-6,11-12,17H,4,7-10,13-16H2,1-3H3,(H,22,26)
InChIKeyMYUSUXHKAZCNSV-UHFFFAOYSA-N
XLogP2.21
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 52.21
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

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43895820
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43901171
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43892823
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide
CID 30391962
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-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 133200145
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43898491
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43893316
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43895236
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43898641

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide (CID 43905897) is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide is CCC1CCCCN1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
The InChIKey is MYUSUXHKAZCNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN4O3S/c1-4-17-10-7-8-14-24(17)15-9-13-22-20(26)16-25(29(27,28)23(2)3)19-12-6-5-11-18(19)21/h5-6,11-12,17H,4,7-10,13-16H2,1-3H3,(H,22,26).
What are the key properties of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide?
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide has a molecular weight of 428.57 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 43905897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).