N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide

C15H19F3N2O3S — CID 113157484

IUPACN-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H19F3N2O3S/c1-24(22,23)20(12-8-7-11(16)14(17)15(12)18)9-13(21)19-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,19,21)
InChIKeyMLCAUUYUPZJRAK-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.32
Rot. Bonds5

About N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide

N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide (PubChem CID 113157484) has the molecular formula C15H19F3N2O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
PubChem CID113157484
Molecular FormulaC15H19F3N2O3S
Molecular Weight364.39 g/mol
Exact Mass364.11
IUPAC NameN-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H19F3N2O3S/c1-24(22,23)20(12-8-7-11(16)14(17)15(12)18)9-13(21)19-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,19,21)
InChIKeyMLCAUUYUPZJRAK-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156765
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978
N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1322609
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 2177494
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
N-cycloheptyl-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249582
N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide
CID 113157058
N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1095298
N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156955
methyl 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156039
N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 846470
N-(2-fluorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157538

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide (CID 113157484) is N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is MLCAUUYUPZJRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3S/c1-24(22,23)20(12-8-7-11(16)14(17)15(12)18)9-13(21)19-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide?
N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 364.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113157484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).