1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide

C19H30N2O3S — CID 27659808

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C19H30N2O3S/c1-4-5-6-11-20-19(22)17-9-12-21(13-10-17)25(23,24)18-8-7-15(2)14-16(18)3/h7-8,14,17H,4-6,9-13H2,1-3H3,(H,20,22)
InChIKeyZUGHDCOXHDWLMX-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.01
Rot. Bonds7

About 1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide (PubChem CID 27659808) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
PubChem CID27659808
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C19H30N2O3S/c1-4-5-6-11-20-19(22)17-9-12-21(13-10-17)25(23,24)18-8-7-15(2)14-16(18)3/h7-8,14,17H,4-6,9-13H2,1-3H3,(H,20,22)
InChIKeyZUGHDCOXHDWLMX-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.01
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

1-(2,4-dimethylphenyl)sulfonyl-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119505936
N-(3-cyclohexyloxypropyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55408291
1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 133254995
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
N-(1-aminohexan-2-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119665925
N-hexyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 32645637
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120827983
1-(2,4-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 51155545
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 113005630

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide (CID 27659808) is 1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide?
The InChIKey is ZUGHDCOXHDWLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-4-5-6-11-20-19(22)17-9-12-21(13-10-17)25(23,24)18-8-7-15(2)14-16(18)3/h7-8,14,17H,4-6,9-13H2,1-3H3,(H,20,22).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 27659808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).