3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one

C23H30O3S — CID 58145597

IUPAC3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one
SMILESCC(C)S(=O)(=O)CC1CCC(C(=O)CCc2cccc3ccccc23)CC1
InChIInChI=1S/C23H30O3S/c1-17(2)27(25,26)16-18-10-12-21(13-11-18)23(24)15-14-20-8-5-7-19-6-3-4-9-22(19)20/h3-9,17-18,21H,10-16H2,1-2H3
InChIKeyZLHMZYKKWVBNAV-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.97
Rot. Bonds7

About 3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one

3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one (PubChem CID 58145597) has the molecular formula C23H30O3S and a molecular weight of 386.56 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one.

Molecular Properties

Compound Name3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one
PubChem CID58145597
Molecular FormulaC23H30O3S
Molecular Weight386.56 g/mol
Exact Mass386.19
IUPAC Name3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one
SMILESCC(C)S(=O)(=O)CC1CCC(C(=O)CCc2cccc3ccccc23)CC1
InChIInChI=1S/C23H30O3S/c1-17(2)27(25,26)16-18-10-12-21(13-11-18)23(24)15-14-20-8-5-7-19-6-3-4-9-22(19)20/h3-9,17-18,21H,10-16H2,1-2H3
InChIKeyZLHMZYKKWVBNAV-UHFFFAOYSA-N
XLogP4.97
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-anthracen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 58145744
1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 65393715
2-(9H-fluoren-9-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 58145395
1-[3-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]propan-2-one
CID 58145544
2-(4-benzoylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 58145056
2-(1-benzothiophen-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 58143898
N-tert-butyl-4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzamide
CID 58145372
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
CID 24725961
1-[4-(butan-2-ylsulfonylmethyl)cyclohexyl]-2-quinolin-3-ylethanone
CID 58145116
1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 105105273
naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone
CID 65425044

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one?
The IUPAC name of 3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one (CID 58145597) is 3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one.
What is the SMILES notation for 3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one?
The canonical SMILES for 3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one is CC(C)S(=O)(=O)CC1CCC(C(=O)CCc2cccc3ccccc23)CC1.
What is the InChIKey of 3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one?
The InChIKey is ZLHMZYKKWVBNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3S/c1-17(2)27(25,26)16-18-10-12-21(13-11-18)23(24)15-14-20-8-5-7-19-6-3-4-9-22(19)20/h3-9,17-18,21H,10-16H2,1-2H3.
What are the key properties of 3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one?
3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one has a molecular weight of 386.56 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one is sourced from PubChem (CID 58145597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).