N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide

C17H26FN3O3S — CID 46764756

IUPACN-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide
SMILESCN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)C1CCCCC1
InChIInChI=1S/C17H26FN3O3S/c1-19(2)25(23,24)21(16-11-9-14(18)10-12-16)13-17(22)20(3)15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3
InChIKeyVAFPPUSZIJFAME-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.23
Rot. Bonds6

About N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide

N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide (PubChem CID 46764756) has the molecular formula C17H26FN3O3S and a molecular weight of 371.48 g/mol. Its IUPAC name is N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide
PubChem CID46764756
Molecular FormulaC17H26FN3O3S
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC NameN-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide
SMILESCN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)C1CCCCC1
InChIInChI=1S/C17H26FN3O3S/c1-19(2)25(23,24)21(16-11-9-14(18)10-12-16)13-17(22)20(3)15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3
InChIKeyVAFPPUSZIJFAME-UHFFFAOYSA-N
XLogP2.23
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
CID 26565810
N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 46364516
N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 38018575
N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 92681273
2-(4-bromo-N-methylsulfonylanilino)-N-cyclohexyl-N-methylacetamide
CID 92672264
(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
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
CID 42979745
2-[(4-bromophenyl)methyl-[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]amino]-N-cyclopentylpropanamide
CID 133196404
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43896648
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28633740
(2R)-N-cyclohexyl-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 100566653

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide (CID 46764756) is N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide is CN(C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide?
The InChIKey is VAFPPUSZIJFAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3S/c1-19(2)25(23,24)21(16-11-9-14(18)10-12-16)13-17(22)20(3)15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3.
What are the key properties of N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide?
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide has a molecular weight of 371.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide is sourced from PubChem (CID 46764756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).