4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide

C26H38N2O5S — CID 66630522

IUPAC4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide
SMILESCCS(=O)(=O)C(Oc1ccc(C(=O)N(C)C2C3CC4CC2CC(O)(C4)C3)cc1)C1CCNCC1
InChIInChI=1S/C26H38N2O5S/c1-3-34(31,32)25(19-8-10-27-11-9-19)33-22-6-4-18(5-7-22)24(29)28(2)23-20-12-17-13-21(23)16-26(30,14-17)15-20/h4-7,17,19-21,23,25,27,30H,3,8-16H2,1-2H3
InChIKeyRMIPOZOMLCXBHU-UHFFFAOYSA-N
MW490.67 g/mol
LogP2.84
Rot. Bonds7

About 4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide

4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide (PubChem CID 66630522) has the molecular formula C26H38N2O5S and a molecular weight of 490.67 g/mol. Its IUPAC name is 4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide
PubChem CID66630522
Molecular FormulaC26H38N2O5S
Molecular Weight490.67 g/mol
Exact Mass490.25
IUPAC Name4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide
SMILESCCS(=O)(=O)C(Oc1ccc(C(=O)N(C)C2C3CC4CC2CC(O)(C4)C3)cc1)C1CCNCC1
InChIInChI=1S/C26H38N2O5S/c1-3-34(31,32)25(19-8-10-27-11-9-19)33-22-6-4-18(5-7-22)24(29)28(2)23-20-12-17-13-21(23)16-26(30,14-17)15-20/h4-7,17,19-21,23,25,27,30H,3,8-16H2,1-2H3
InChIKeyRMIPOZOMLCXBHU-UHFFFAOYSA-N
XLogP2.84
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide
CID 24966172
4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443676
N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide
CID 71163730
N-(2-adamantyl)-4-amino-N-methylbenzamide
CID 60945227
N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide
CID 71068876
4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119442811
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177255
4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442633
N-cyclopropyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79702133
N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
CID 119444660

Frequently Asked Questions

What is the IUPAC name of 4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide?
The IUPAC name of 4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide (CID 66630522) is 4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide.
What is the SMILES notation for 4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide?
The canonical SMILES for 4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide is CCS(=O)(=O)C(Oc1ccc(C(=O)N(C)C2C3CC4CC2CC(O)(C4)C3)cc1)C1CCNCC1.
What is the InChIKey of 4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide?
The InChIKey is RMIPOZOMLCXBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O5S/c1-3-34(31,32)25(19-8-10-27-11-9-19)33-22-6-4-18(5-7-22)24(29)28(2)23-20-12-17-13-21(23)16-26(30,14-17)15-20/h4-7,17,19-21,23,25,27,30H,3,8-16H2,1-2H3.
What are the key properties of 4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide?
4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide has a molecular weight of 490.67 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethylsulfonyl(piperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide is sourced from PubChem (CID 66630522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).