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

C23H30N2O5S — CID 108560702

IUPACN-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NC1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C23H30N2O5S/c1-4-29-21-7-5-6-8-22(21)30-16-23(26)24-19-11-13-25(14-12-19)31(27,28)20-10-9-17(2)18(3)15-20/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,24,26)
InChIKeySCOPPUHEPSMTRA-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.05
Rot. Bonds8

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

N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 108560702) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide
PubChem CID108560702
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NC1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C23H30N2O5S/c1-4-29-21-7-5-6-8-22(21)30-16-23(26)24-19-11-13-25(14-12-19)31(27,28)20-10-9-17(2)18(3)15-20/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,24,26)
InChIKeySCOPPUHEPSMTRA-UHFFFAOYSA-N
XLogP3.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 41171859
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560006
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088
N-cyclopropyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462487
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559998
tert-butyl N-[3-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108558915
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108561420
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108560767
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9189839

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide (CID 108560702) is N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)NC1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is SCOPPUHEPSMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-4-29-21-7-5-6-8-22(21)30-16-23(26)24-19-11-13-25(14-12-19)31(27,28)20-10-9-17(2)18(3)15-20/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide?
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 446.57 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 108560702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).