N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C23H32N2O3S — CID 2927302

IUPACN-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1
InChIInChI=1S/C23H32N2O3S/c1-16-6-8-25(9-7-16)29(27,28)21-4-2-20(3-5-21)22(26)24-23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,16-19H,6-15H2,1H3,(H,24,26)
InChIKeyHDUNMTJZTKMNLR-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.81
Rot. Bonds4

About N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 2927302) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID2927302
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1
InChIInChI=1S/C23H32N2O3S/c1-16-6-8-25(9-7-16)29(27,28)21-4-2-20(3-5-21)22(26)24-23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,16-19H,6-15H2,1H3,(H,24,26)
InChIKeyHDUNMTJZTKMNLR-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2882558
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CID 38629004
1-(1-adamantyl)-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]urea
CID 42633447
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
N-(1-adamantyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 7732546
4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 24982872
N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide
CID 69085659
(2R,3S)-3-hydroxy-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]butanoate
CID 9439318
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036
N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119504648
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 2927302) is N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1.
What is the InChIKey of N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is HDUNMTJZTKMNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-16-6-8-25(9-7-16)29(27,28)21-4-2-20(3-5-21)22(26)24-23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,16-19H,6-15H2,1H3,(H,24,26).
What are the key properties of N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 416.59 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 2927302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).