N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C22H30N2O3S — CID 32645883

IUPACN-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H30N2O3S/c1-2-3-4-7-14-23-22(25)19-12-15-24(16-13-19)28(26,27)21-11-10-18-8-5-6-9-20(18)17-21/h5-6,8-11,17,19H,2-4,7,12-16H2,1H3,(H,23,25)
InChIKeyHWBZDZSCRAFJLD-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.94
Rot. Bonds8

About N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 32645883) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID32645883
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H30N2O3S/c1-2-3-4-7-14-23-22(25)19-12-15-24(16-13-19)28(26,27)21-11-10-18-8-5-6-9-20(18)17-21/h5-6,8-11,17,19H,2-4,7,12-16H2,1H3,(H,23,25)
InChIKeyHWBZDZSCRAFJLD-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093
1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 27741102
N-[4-(4-fluorophenoxy)butyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 42572161
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 46520815
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
N-[2-(2-methoxyphenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26181194
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113002724
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
methyl 2-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 43007840
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 41438993

Frequently Asked Questions

What is the IUPAC name of N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 32645883) is N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is CCCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is HWBZDZSCRAFJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-2-3-4-7-14-23-22(25)19-12-15-24(16-13-19)28(26,27)21-11-10-18-8-5-6-9-20(18)17-21/h5-6,8-11,17,19H,2-4,7,12-16H2,1H3,(H,23,25).
What are the key properties of N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 32645883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).