4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide

C18H27NO3S — CID 86971398

IUPAC4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide
SMILESCCS(=O)(=O)c1cccc(NC(=O)CCCC2CCCCC2)c1
InChIInChI=1S/C18H27NO3S/c1-2-23(21,22)17-12-7-11-16(14-17)19-18(20)13-6-10-15-8-4-3-5-9-15/h7,11-12,14-15H,2-6,8-10,13H2,1H3,(H,19,20)
InChIKeyLOVWIDPJCQDGFG-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.17
Rot. Bonds7

About 4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide

4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide (PubChem CID 86971398) has the molecular formula C18H27NO3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide
PubChem CID86971398
Molecular FormulaC18H27NO3S
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC Name4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide
SMILESCCS(=O)(=O)c1cccc(NC(=O)CCCC2CCCCC2)c1
InChIInChI=1S/C18H27NO3S/c1-2-23(21,22)17-12-7-11-16(14-17)19-18(20)13-6-10-15-8-4-3-5-9-15/h7,11-12,14-15H,2-6,8-10,13H2,1H3,(H,19,20)
InChIKeyLOVWIDPJCQDGFG-UHFFFAOYSA-N
XLogP4.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 24819422
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
3-(4-cyclohexylbutanoylamino)-5-methylsulfonylbenzoic acid
CID 119257879
3-(4-cyclopentylbutanoylamino)-5-methylsulfonylbenzoic acid
CID 119257840
2-(cyclohexylmethyl)-N-(3-ethylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 86973148
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide
CID 71994664
4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 33002263

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide?
The IUPAC name of 4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide (CID 86971398) is 4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide?
The canonical SMILES for 4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide is CCS(=O)(=O)c1cccc(NC(=O)CCCC2CCCCC2)c1.
What is the InChIKey of 4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide?
The InChIKey is LOVWIDPJCQDGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-2-23(21,22)17-12-7-11-16(14-17)19-18(20)13-6-10-15-8-4-3-5-9-15/h7,11-12,14-15H,2-6,8-10,13H2,1H3,(H,19,20).
What are the key properties of 4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide?
4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide has a molecular weight of 337.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide is sourced from PubChem (CID 86971398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).