4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide

C26H38N2O5S — CID 24966172

IUPAC4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide
SMILESCCS(=O)(=O)N1CCC(COc2ccc(C(=O)N(C)C3C4CC5CC3CC(O)(C5)C4)cc2)CC1
InChIInChI=1S/C26H38N2O5S/c1-3-34(31,32)28-10-8-18(9-11-28)17-33-23-6-4-20(5-7-23)25(29)27(2)24-21-12-19-13-22(24)16-26(30,14-19)15-21/h4-7,18-19,21-22,24,30H,3,8-17H2,1-2H3
InChIKeyAIHHBGMTMNAVOV-UHFFFAOYSA-N
MW490.67 g/mol
LogP3.14
Rot. Bonds7

About 4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide

4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide (PubChem CID 24966172) has the molecular formula C26H38N2O5S and a molecular weight of 490.67 g/mol. Its IUPAC name is 4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide
PubChem CID24966172
Molecular FormulaC26H38N2O5S
Molecular Weight490.67 g/mol
Exact Mass490.25
IUPAC Name4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide
SMILESCCS(=O)(=O)N1CCC(COc2ccc(C(=O)N(C)C3C4CC5CC3CC(O)(C5)C4)cc2)CC1
InChIInChI=1S/C26H38N2O5S/c1-3-34(31,32)28-10-8-18(9-11-28)17-33-23-6-4-20(5-7-23)25(29)27(2)24-21-12-19-13-22(24)16-26(30,14-19)15-21/h4-7,18-19,21-22,24,30H,3,8-17H2,1-2H3
InChIKeyAIHHBGMTMNAVOV-UHFFFAOYSA-N
XLogP3.14
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide with MolForge

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Related Compounds

4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216978
4-[[1-(adamantane-1-carbonyl)piperidin-4-yl]methoxy]benzoic acid
CID 24771373
4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 136526082
N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 119582823
4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide
CID 71163730
4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551835
N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide
CID 118147802
1-hydroxy-N-[(1S,3R)-5-hydroxy-2-adamantyl]-3-[[4-(4-methylsulfonylpiperazin-1-yl)phenoxy]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 67413952
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide
CID 71068876
4-[[1-(2,3-dihydropyridin-6-ylsulfanyl)piperidin-4-yl]methoxy]-N-(7-hydroxy-2-bicyclo[3.2.1]oct-1(7)-enyl)-N-methylbenzamide
CID 143553857
N-(1-aminopropan-2-yl)-4-(cyclohexylmethoxy)-N-methylbenzamide;hydrochloride
CID 119584659

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide?
The IUPAC name of 4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide (CID 24966172) is 4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide.
What is the SMILES notation for 4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide?
The canonical SMILES for 4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide is CCS(=O)(=O)N1CCC(COc2ccc(C(=O)N(C)C3C4CC5CC3CC(O)(C5)C4)cc2)CC1.
What is the InChIKey of 4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide?
The InChIKey is AIHHBGMTMNAVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O5S/c1-3-34(31,32)28-10-8-18(9-11-28)17-33-23-6-4-20(5-7-23)25(29)27(2)24-21-12-19-13-22(24)16-26(30,14-19)15-21/h4-7,18-19,21-22,24,30H,3,8-17H2,1-2H3.
What are the key properties of 4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide?
4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide has a molecular weight of 490.67 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide is sourced from PubChem (CID 24966172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).