N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide

C19H30N2O4S — CID 108561311

IUPACN-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(OCC)cc2)CC1
InChIInChI=1S/C19H30N2O4S/c1-3-5-14-26(23,24)21-12-10-17(11-13-21)20-19(22)15-16-6-8-18(9-7-16)25-4-2/h6-9,17H,3-5,10-15H2,1-2H3,(H,20,22)
InChIKeyFHWSSGNTZZZCCD-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.34
Rot. Bonds9

About N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide

N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide (PubChem CID 108561311) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
PubChem CID108561311
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(OCC)cc2)CC1
InChIInChI=1S/C19H30N2O4S/c1-3-5-14-26(23,24)21-12-10-17(11-13-21)20-19(22)15-16-6-8-18(9-7-16)25-4-2/h6-9,17H,3-5,10-15H2,1-2H3,(H,20,22)
InChIKeyFHWSSGNTZZZCCD-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide
CID 108561153
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
2-(4-ethoxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 78785999
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
CID 119702884
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108560437
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229909
ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322

Frequently Asked Questions

What is the IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide (CID 108561311) is N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide is CCCCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(OCC)cc2)CC1.
What is the InChIKey of N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide?
The InChIKey is FHWSSGNTZZZCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-3-5-14-26(23,24)21-12-10-17(11-13-21)20-19(22)15-16-6-8-18(9-7-16)25-4-2/h6-9,17H,3-5,10-15H2,1-2H3,(H,20,22).
What are the key properties of N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide?
N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide has a molecular weight of 382.53 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 108561311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).