N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide

C24H33ClN2O3S — CID 4545371

IUPACN-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33ClN2O3S/c1-16(24-13-17-9-18(14-24)11-19(10-17)15-24)26-23(28)20-5-6-21(25)22(12-20)31(29,30)27-7-3-2-4-8-27/h5-6,12,16-19H,2-4,7-11,13-15H2,1H3,(H,26,28)
InChIKeyCFBTWLWTWKXDRC-UHFFFAOYSA-N
MW465.06 g/mol
LogP4.85
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide

N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 4545371) has the molecular formula C24H33ClN2O3S and a molecular weight of 465.06 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID4545371
Molecular FormulaC24H33ClN2O3S
Molecular Weight465.06 g/mol
Exact Mass464.19
IUPAC NameN-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H33ClN2O3S/c1-16(24-13-17-9-18(14-24)11-19(10-17)15-24)26-23(28)20-5-6-21(25)22(12-20)31(29,30)27-7-3-2-4-8-27/h5-6,12,16-19H,2-4,7-11,13-15H2,1H3,(H,26,28)
InChIKeyCFBTWLWTWKXDRC-UHFFFAOYSA-N
XLogP4.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.06
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7929606
N-[1-(1-adamantyl)ethyl]-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4287223
4-chloro-N-[(2S)-3-methylbutan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8923234
3-(azepan-1-ylsulfonyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chlorobenzamide
CID 4839302
N'-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)adamantane-1-carbohydrazide
CID 3638454
N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylbenzamide
CID 3608533
4-chloro-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25372449
N-[(1S)-1-(1-adamantyl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 51873180
4-chloro-N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18166551
N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 5051760
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509204

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide (CID 4545371) is N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide is CC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CFBTWLWTWKXDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O3S/c1-16(24-13-17-9-18(14-24)11-19(10-17)15-24)26-23(28)20-5-6-21(25)22(12-20)31(29,30)27-7-3-2-4-8-27/h5-6,12,16-19H,2-4,7-11,13-15H2,1H3,(H,26,28).
What are the key properties of N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide?
N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 465.06 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4545371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).