4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide

C23H38N2O4S — CID 108561153

IUPAC4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H38N2O4S/c1-5-6-18-30(27,28)25-15-13-20(14-16-25)24-22(26)8-7-17-29-21-11-9-19(10-12-21)23(2,3)4/h9-12,20H,5-8,13-18H2,1-4H3,(H,24,26)
InChIKeyLOUGVRBKEDBUQS-UHFFFAOYSA-N
MW438.63 g/mol
LogP3.85
Rot. Bonds10

About 4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide

4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide (PubChem CID 108561153) has the molecular formula C23H38N2O4S and a molecular weight of 438.63 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide
PubChem CID108561153
Molecular FormulaC23H38N2O4S
Molecular Weight438.63 g/mol
Exact Mass438.26
IUPAC Name4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H38N2O4S/c1-5-6-18-30(27,28)25-15-13-20(14-16-25)24-22(26)8-7-17-29-21-11-9-19(10-12-21)23(2,3)4/h9-12,20H,5-8,13-18H2,1-4H3,(H,24,26)
InChIKeyLOUGVRBKEDBUQS-UHFFFAOYSA-N
XLogP3.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.63
LogP ≤ 53.85
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

N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
CID 108561311
4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
CID 39146511
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide
CID 24590901
4-(4-tert-butylphenoxy)-N-[1-(2-cyanoacetyl)piperidin-4-yl]butanamide
CID 108553546
3-(4-tert-butylphenoxy)-N-cyclopropylpropanamide
CID 60631425
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108560437
N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 108563028
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide (CID 108561153) is 4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide is CCCCS(=O)(=O)N1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide?
The InChIKey is LOUGVRBKEDBUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O4S/c1-5-6-18-30(27,28)25-15-13-20(14-16-25)24-22(26)8-7-17-29-21-11-9-19(10-12-21)23(2,3)4/h9-12,20H,5-8,13-18H2,1-4H3,(H,24,26).
What are the key properties of 4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide?
4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide has a molecular weight of 438.63 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide is sourced from PubChem (CID 108561153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).