N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide

C17H26FN3O3S — CID 46364516

IUPACN-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN3O3S/c1-20(2)25(23,24)21(16-11-9-14(18)10-12-16)13-17(22)19-15-7-5-3-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,19,22)
InChIKeyZBZSQMKAIWGEEV-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.28
Rot. Bonds6

About N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide

N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide (PubChem CID 46364516) has the molecular formula C17H26FN3O3S and a molecular weight of 371.48 g/mol. Its IUPAC name is N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
PubChem CID46364516
Molecular FormulaC17H26FN3O3S
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC NameN-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN3O3S/c1-20(2)25(23,24)21(16-11-9-14(18)10-12-16)13-17(22)19-15-7-5-3-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,19,22)
InChIKeyZBZSQMKAIWGEEV-UHFFFAOYSA-N
XLogP2.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 1109471
N-cyclopentyl-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102315
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide
CID 46764756
N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2982325
(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 125055667
N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 133252695
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281968
2-[(3-chlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]amino]-N-cyclopentylpropanamide
CID 133198437
2-[(4-bromophenyl)methyl-[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]amino]-N-cyclopentylpropanamide
CID 133196404
(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 100566653
(2S)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 100566642
2-[(3-bromophenyl)methyl-[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]amino]-N-cyclohexylpropanamide
CID 133175162

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The IUPAC name of N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide (CID 46364516) is N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide is CN(C)S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
The InChIKey is ZBZSQMKAIWGEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3S/c1-20(2)25(23,24)21(16-11-9-14(18)10-12-16)13-17(22)19-15-7-5-3-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,19,22).
What are the key properties of N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide?
N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide is sourced from PubChem (CID 46364516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).