N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C18H28N2O3S — CID 26590850

IUPACN-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C18H28N2O3S/c1-4-5-10-19-18(21)16-8-11-20(12-9-16)24(22,23)17-7-6-14(2)15(3)13-17/h6-7,13,16H,4-5,8-12H2,1-3H3,(H,19,21)
InChIKeyOOCAJBKHZFYUQC-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.62
Rot. Bonds6

About N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26590850) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26590850
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C18H28N2O3S/c1-4-5-10-19-18(21)16-8-11-20(12-9-16)24(22,23)17-7-6-14(2)15(3)13-17/h6-7,13,16H,4-5,8-12H2,1-3H3,(H,19,21)
InChIKeyOOCAJBKHZFYUQC-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.62
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-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113002724
1-(3,4-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 26776108
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430619
N-(3-aminopropyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119405837
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-(3-aminobutyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119495981
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55717991
1-(3,4-dimethylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
CID 35513155
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
N-[2-(1-adamantyl)ethyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26878686
1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 27256239

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 26590850) is N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is OOCAJBKHZFYUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-5-10-19-18(21)16-8-11-20(12-9-16)24(22,23)17-7-6-14(2)15(3)13-17/h6-7,13,16H,4-5,8-12H2,1-3H3,(H,19,21).
What are the key properties of N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26590850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).