N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide

C16H23FN2O3S — CID 6463230

IUPACN-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-23(21,22)19(11-13-7-9-14(17)10-8-13)12-16(20)18-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,18,20)
InChIKeyVZUCRWLFTHMCSG-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.04
Rot. Bonds6

About N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide

N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 6463230) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
PubChem CID6463230
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-23(21,22)19(11-13-7-9-14(17)10-8-13)12-16(20)18-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,18,20)
InChIKeyVZUCRWLFTHMCSG-UHFFFAOYSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide (CID 6463230) is N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide is CS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is VZUCRWLFTHMCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-23(21,22)19(11-13-7-9-14(17)10-8-13)12-16(20)18-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 6463230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).