N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide

C23H30N2O5S — CID 108566445

IUPACN-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
SMILESCCOc1ccc(OCC(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H30N2O5S/c1-4-29-20-6-8-21(9-7-20)30-16-23(26)25-13-11-19(12-14-25)24-31(27,28)22-10-5-17(2)15-18(22)3/h5-10,15,19,24H,4,11-14,16H2,1-3H3
InChIKeyHNNPRKWYENZEKM-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.05
Rot. Bonds8

About N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide

N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 108566445) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID108566445
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
SMILESCCOc1ccc(OCC(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H30N2O5S/c1-4-29-20-6-8-21(9-7-20)30-16-23(26)25-13-11-19(12-14-25)24-31(27,28)22-10-5-17(2)15-18(22)3/h5-10,15,19,24H,4,11-14,16H2,1-3H3
InChIKeyHNNPRKWYENZEKM-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-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566788
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819180
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566141
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562193
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide
CID 108564246
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide (CID 108566445) is N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide is CCOc1ccc(OCC(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is HNNPRKWYENZEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-4-29-20-6-8-21(9-7-20)30-16-23(26)25-13-11-19(12-14-25)24-31(27,28)22-10-5-17(2)15-18(22)3/h5-10,15,19,24H,4,11-14,16H2,1-3H3.
What are the key properties of N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide 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-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 108566445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).