N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide

C24H32N2O4S — CID 108560906

IUPACN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)NC2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C24H32N2O4S/c1-4-5-20-8-10-22(11-9-20)30-17-24(27)25-21-12-14-26(15-13-21)31(28,29)23-16-18(2)6-7-19(23)3/h6-11,16,21H,4-5,12-15,17H2,1-3H3,(H,25,27)
InChIKeyNXBKFFMRBLUFMB-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.60
Rot. Bonds8

About N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide

N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide (PubChem CID 108560906) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide
PubChem CID108560906
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)NC2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C24H32N2O4S/c1-4-5-20-8-10-22(11-9-20)30-17-24(27)25-21-12-14-26(15-13-21)31(28,29)23-16-18(2)6-7-19(23)3/h6-11,16,21H,4-5,12-15,17H2,1-3H3,(H,25,27)
InChIKeyNXBKFFMRBLUFMB-UHFFFAOYSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562193
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559998
3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 108562318
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
CID 108561675
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108560767
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 41171859
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553085
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553068
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide (CID 108560906) is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)NC2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide?
The InChIKey is NXBKFFMRBLUFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-4-5-20-8-10-22(11-9-20)30-17-24(27)25-21-12-14-26(15-13-21)31(28,29)23-16-18(2)6-7-19(23)3/h6-11,16,21H,4-5,12-15,17H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide?
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide has a molecular weight of 444.60 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 108560906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).