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

C24H34N2O3S — CID 7929606

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O3S/c1-17(24-14-18-10-19(15-24)12-20(11-18)16-24)25-23(27)21-6-5-7-22(13-21)30(28,29)26-8-3-2-4-9-26/h5-7,13,17-20H,2-4,8-12,14-16H2,1H3,(H,25,27)/t17-,18?,19?,20?,24?/m1/s1
InChIKeyICLFUCLZTOBELH-OQOKOFKUSA-N
MW430.61 g/mol
LogP4.20
Rot. Bonds5

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

N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 7929606) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID7929606
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N2O3S/c1-17(24-14-18-10-19(15-24)12-20(11-18)16-24)25-23(27)21-6-5-7-22(13-21)30(28,29)26-8-3-2-4-9-26/h5-7,13,17-20H,2-4,8-12,14-16H2,1H3,(H,25,27)/t17-,18?,19?,20?,24?/m1/s1
InChIKeyICLFUCLZTOBELH-OQOKOFKUSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 42989962
N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43011512
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-[1-(1-adamantyl)ethyl]-3-(ethylsulfamoyl)benzamide
CID 46560441
3-(azepan-1-ylsulfonyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 43009008
N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 5051760
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9301531
3-(azepan-1-ylsulfonyl)-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 25360181
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 132664657
3-(azepan-1-ylsulfonyl)-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 53285860

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide (CID 7929606) is N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide is C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ICLFUCLZTOBELH-OQOKOFKUSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-17(24-14-18-10-19(15-24)12-20(11-18)16-24)25-23(27)21-6-5-7-22(13-21)30(28,29)26-8-3-2-4-9-26/h5-7,13,17-20H,2-4,8-12,14-16H2,1H3,(H,25,27)/t17-,18?,19?,20?,24?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 430.61 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 7929606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).