1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide

C22H28N2O3S — CID 133167768

IUPAC1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide
SMILESCc1ccc(CCCNC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O3S/c1-18-11-13-19(14-12-18)7-5-15-23-22(25)20-8-6-16-24(17-20)28(26,27)21-9-3-2-4-10-21/h2-4,9-14,20H,5-8,15-17H2,1H3,(H,23,25)
InChIKeyOLHJQVDHZVFRNP-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.14
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide (PubChem CID 133167768) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide
PubChem CID133167768
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide
SMILESCc1ccc(CCCNC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O3S/c1-18-11-13-19(14-12-18)7-5-15-23-22(25)20-8-6-16-24(17-20)28(26,27)21-9-3-2-4-10-21/h2-4,9-14,20H,5-8,15-17H2,1H3,(H,23,25)
InChIKeyOLHJQVDHZVFRNP-UHFFFAOYSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.14
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-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 86973039
1-(benzenesulfonyl)-N-[3-(4-hydroxyphenyl)propyl]piperidine-3-carboxamide
CID 86972828
N-[3-(4-fluorophenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168061
(3R)-N-[3-(4-methylphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30394720
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
(3S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 124626205
N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119431683
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide (CID 133167768) is 1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide is Cc1ccc(CCCNC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is OLHJQVDHZVFRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-18-11-13-19(14-12-18)7-5-15-23-22(25)20-8-6-16-24(17-20)28(26,27)21-9-3-2-4-10-21/h2-4,9-14,20H,5-8,15-17H2,1H3,(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 133167768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).