N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide

C22H28N2O4S — CID 108561675

IUPACN-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)CCOc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H28N2O4S/c1-17-8-9-21(18(2)16-17)29(26,27)24-13-10-19(11-14-24)23-22(25)12-15-28-20-6-4-3-5-7-20/h3-9,16,19H,10-15H2,1-2H3,(H,23,25)
InChIKeyKMXZBQPEURLMSD-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.04
Rot. Bonds7

About N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide

N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide (PubChem CID 108561675) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
PubChem CID108561675
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)CCOc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H28N2O4S/c1-17-8-9-21(18(2)16-17)29(26,27)24-13-10-19(11-14-24)23-22(25)12-15-28-20-6-4-3-5-7-20/h3-9,16,19H,10-15H2,1-2H3,(H,23,25)
InChIKeyKMXZBQPEURLMSD-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.04
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
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
CID 108561671
3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 108562318
2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559899
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560006
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
CID 108562672
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108560906
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108560042

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide (CID 108561675) is N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CCOc3ccccc3)CC2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide?
The InChIKey is KMXZBQPEURLMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-8-9-21(18(2)16-17)29(26,27)24-13-10-19(11-14-24)23-22(25)12-15-28-20-6-4-3-5-7-20/h3-9,16,19H,10-15H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide?
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide has a molecular weight of 416.54 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 108561675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).