4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide

C17H25ClN2O4S — CID 49375250

IUPAC4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CCCOc2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClN2O4S/c1-2-25(22,23)20-11-9-14(10-12-20)19-17(21)8-5-13-24-16-7-4-3-6-15(16)18/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,19,21)
InChIKeyWVYHRGFIVJFIDA-UHFFFAOYSA-N
MW388.92 g/mol
LogP2.43
Rot. Bonds8

About 4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide

4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide (PubChem CID 49375250) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
PubChem CID49375250
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Name4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CCCOc2ccccc2Cl)CC1
InChIInChI=1S/C17H25ClN2O4S/c1-2-25(22,23)20-11-9-14(10-12-20)19-17(21)8-5-13-24-16-7-4-3-6-15(16)18/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,19,21)
InChIKeyWVYHRGFIVJFIDA-UHFFFAOYSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
benzyl 4-[4-(2-chlorophenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561231
4-(2-chlorophenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 49387753
4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide
CID 108561216
4-(2-chlorophenoxy)-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561213
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
4-(2-chlorophenoxy)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]butanamide
CID 108553708
4-(2-chlorophenoxy)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]butanamide
CID 108553687
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555612

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide (CID 49375250) is 4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide is CCS(=O)(=O)N1CCC(NC(=O)CCCOc2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide?
The InChIKey is WVYHRGFIVJFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-2-25(22,23)20-11-9-14(10-12-20)19-17(21)8-5-13-24-16-7-4-3-6-15(16)18/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,19,21).
What are the key properties of 4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide?
4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide has a molecular weight of 388.92 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide is sourced from PubChem (CID 49375250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).