N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide

C20H27NO5S — CID 71068876

IUPACN-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide
SMILESCS(=O)(=O)COc1ccc(C(=O)NC2CCC3CC4CC(O)(C3)CC42)cc1
InChIInChI=1S/C20H27NO5S/c1-27(24,25)12-26-16-5-3-14(4-6-16)19(22)21-18-7-2-13-8-15-10-20(23,9-13)11-17(15)18/h3-6,13,15,17-18,23H,2,7-12H2,1H3,(H,21,22)
InChIKeyKWKHQLRLVCEFLB-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.13
Rot. Bonds5

About N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide

N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide (PubChem CID 71068876) has the molecular formula C20H27NO5S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide
PubChem CID71068876
Molecular FormulaC20H27NO5S
Molecular Weight393.51 g/mol
Exact Mass393.16
IUPAC NameN-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide
SMILESCS(=O)(=O)COc1ccc(C(=O)NC2CCC3CC4CC(O)(C3)CC42)cc1
InChIInChI=1S/C20H27NO5S/c1-27(24,25)12-26-16-5-3-14(4-6-16)19(22)21-18-7-2-13-8-15-10-20(23,9-13)11-17(15)18/h3-6,13,15,17-18,23H,2,7-12H2,1H3,(H,21,22)
InChIKeyKWKHQLRLVCEFLB-UHFFFAOYSA-N
XLogP2.13
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide
CID 70890788
6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide
CID 71053824
8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide
CID 71053776
N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide
CID 71070702
1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
CID 71146847
1-[4-(methylsulfonylmethoxy)phenyl]ethanone
CID 175083544
1-tert-butyl-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 71166526
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203505
2-[(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)amino]-1-[1-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 70923041
[4-[(5-hydroxy-2-adamantyl)carbamoyl]phenoxy]-pyridin-2-ylmethanesulfinic acid
CID 66851915
4-[(1-ethylsulfonylpiperidin-4-yl)methoxy]-N-(5-hydroxy-2-adamantyl)-N-methylbenzamide
CID 24966172

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide?
The IUPAC name of N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide (CID 71068876) is N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide.
What is the SMILES notation for N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide?
The canonical SMILES for N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide is CS(=O)(=O)COc1ccc(C(=O)NC2CCC3CC4CC(O)(C3)CC42)cc1.
What is the InChIKey of N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide?
The InChIKey is KWKHQLRLVCEFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5S/c1-27(24,25)12-26-16-5-3-14(4-6-16)19(22)21-18-7-2-13-8-15-10-20(23,9-13)11-17(15)18/h3-6,13,15,17-18,23H,2,7-12H2,1H3,(H,21,22).
What are the key properties of N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide?
N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide has a molecular weight of 393.51 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide is sourced from PubChem (CID 71068876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).