N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide

C28H34N2O3S — CID 100644610

IUPACN-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C28H34N2O3S/c31-27(23-10-12-30(13-11-23)34(32,33)26-4-2-1-3-5-26)29-25-8-6-24(7-9-25)28-17-20-14-21(18-28)16-22(15-20)19-28/h1-9,20-23H,10-19H2,(H,29,31)
InChIKeyPUXZUUOOVLIVQX-UHFFFAOYSA-N
MW478.66 g/mol
LogP5.19
Rot. Bonds5

About N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide

N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide (PubChem CID 100644610) has the molecular formula C28H34N2O3S and a molecular weight of 478.66 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
PubChem CID100644610
Molecular FormulaC28H34N2O3S
Molecular Weight478.66 g/mol
Exact Mass478.23
IUPAC NameN-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C28H34N2O3S/c31-27(23-10-12-30(13-11-23)34(32,33)26-4-2-1-3-5-26)29-25-8-6-24(7-9-25)28-17-20-14-21(18-28)16-22(15-20)19-28/h1-9,20-23H,10-19H2,(H,29,31)
InChIKeyPUXZUUOOVLIVQX-UHFFFAOYSA-N
XLogP5.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.66
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-adamantyl)phenyl]-1,4-bis(benzenesulfonyl)piperazine-2-carboxamide
CID 3783251
N-[4-(1-adamantyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 133189440
1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide
CID 24956832
1-(benzenesulfonyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]piperidine-4-carboxamide
CID 4822170
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
1-(benzenesulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide
CID 26688012
1-(benzenesulfonyl)-N-(4-carbamoyl-3-chlorophenyl)piperidine-4-carboxamide
CID 39170705
1-(benzenesulfonyl)-N-(3-chloro-4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 55885014
ethyl 2-[4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]phenyl]acetate
CID 100798707
1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 23826158

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide (CID 100644610) is N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide is O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide?
The InChIKey is PUXZUUOOVLIVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3S/c31-27(23-10-12-30(13-11-23)34(32,33)26-4-2-1-3-5-26)29-25-8-6-24(7-9-25)28-17-20-14-21(18-28)16-22(15-20)19-28/h1-9,20-23H,10-19H2,(H,29,31).
What are the key properties of N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide?
N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide has a molecular weight of 478.66 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 100644610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).