N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide

C17H25NO3S — CID 51091642

IUPACN-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO3S/c1-2-22(20,21)13-16(19)18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,17H,2,4,7-8,11-13H2,1H3,(H,18,19)
InChIKeyINOMYCFZYYPLBH-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.86
Rot. Bonds6

About N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide

N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide (PubChem CID 51091642) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
PubChem CID51091642
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO3S/c1-2-22(20,21)13-16(19)18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,17H,2,4,7-8,11-13H2,1H3,(H,18,19)
InChIKeyINOMYCFZYYPLBH-UHFFFAOYSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide (CID 51091642) is N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide is CCS(=O)(=O)CC(=O)NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide?
The InChIKey is INOMYCFZYYPLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-2-22(20,21)13-16(19)18-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,17H,2,4,7-8,11-13H2,1H3,(H,18,19).
What are the key properties of N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide?
N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide has a molecular weight of 323.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide is sourced from PubChem (CID 51091642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).