2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide

C18H28N2O4S — CID 46419745

IUPAC2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-18(2,3)14-5-7-16(8-6-14)24-13-17(21)19-15-9-11-20(12-10-15)25(4,22)23/h5-8,15H,9-13H2,1-4H3,(H,19,21)
InChIKeyNYZWEAFUVGTQIK-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.90
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide

2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 46419745) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID46419745
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-18(2,3)14-5-7-16(8-6-14)24-13-17(21)19-15-9-11-20(12-10-15)25(4,22)23/h5-8,15H,9-13H2,1-4H3,(H,19,21)
InChIKeyNYZWEAFUVGTQIK-UHFFFAOYSA-N
XLogP1.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47910347
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 86812678
2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55708412
2-(4-tert-butylphenoxy)-N-piperidin-3-ylacetamide
CID 119428082
2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47909972
2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 110714979
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141
4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide
CID 108561153
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553085
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 46419745) is 2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is CC(C)(C)c1ccc(OCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is NYZWEAFUVGTQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-18(2,3)14-5-7-16(8-6-14)24-13-17(21)19-15-9-11-20(12-10-15)25(4,22)23/h5-8,15H,9-13H2,1-4H3,(H,19,21).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 368.50 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 46419745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).