2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide

C24H34N2O3S — CID 108559969

IUPAC2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C24H34N2O3S/c1-17-2-4-22(5-3-17)30(28,29)26-8-6-21(7-9-26)25-23(27)16-24-13-18-10-19(14-24)12-20(11-18)15-24/h2-5,18-21H,6-16H2,1H3,(H,25,27)
InChIKeyKTUMTJTTZKRCEU-UHFFFAOYSA-N
MW430.61 g/mol
LogP3.87
Rot. Bonds5

About 2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide

2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 108559969) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID108559969
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC Name2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C24H34N2O3S/c1-17-2-4-22(5-3-17)30(28,29)26-8-6-21(7-9-26)25-23(27)16-24-13-18-10-19(14-24)12-20(11-18)15-24/h2-5,18-21H,6-16H2,1H3,(H,25,27)
InChIKeyKTUMTJTTZKRCEU-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108559964
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 119699481
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108560467
1-(1-adamantyl)-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]urea
CID 42633447
N-(4-ethylcyclohexyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 112822855
2-amino-2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
CID 119699520
4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 120587685
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119451054
N-cyclohexyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 7910326

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide (CID 108559969) is 2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is KTUMTJTTZKRCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-17-2-4-22(5-3-17)30(28,29)26-8-6-21(7-9-26)25-23(27)16-24-13-18-10-19(14-24)12-20(11-18)15-24/h2-5,18-21H,6-16H2,1H3,(H,25,27).
What are the key properties of 2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 430.61 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 108559969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).