2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide

C23H28N2O4S — CID 86970649

IUPAC2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3OC3CCC3)CC2)cc1
InChIInChI=1S/C23H28N2O4S/c1-17-9-11-20(12-10-17)30(27,28)25-15-13-18(14-16-25)24-23(26)21-7-2-3-8-22(21)29-19-5-4-6-19/h2-3,7-12,18-19H,4-6,13-16H2,1H3,(H,24,26)
InChIKeyISNQOXQAZIRDGE-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.51
Rot. Bonds6

About 2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide

2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 86970649) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID86970649
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3OC3CCC3)CC2)cc1
InChIInChI=1S/C23H28N2O4S/c1-17-9-11-20(12-10-17)30(27,28)25-15-13-18(14-16-25)24-23(26)21-7-2-3-8-22(21)29-19-5-4-6-19/h2-3,7-12,18-19H,4-6,13-16H2,1H3,(H,24,26)
InChIKeyISNQOXQAZIRDGE-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(oxolan-2-ylmethoxy)benzamide
CID 43042819
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide
CID 175019852
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide
CID 24617781
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-sulfanylbenzamide
CID 108561601
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562939

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide (CID 86970649) is 2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3OC3CCC3)CC2)cc1.
What is the InChIKey of 2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is ISNQOXQAZIRDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-17-9-11-20(12-10-17)30(27,28)25-15-13-18(14-16-25)24-23(26)21-7-2-3-8-22(21)29-19-5-4-6-19/h2-3,7-12,18-19H,4-6,13-16H2,1H3,(H,24,26).
What are the key properties of 2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 428.55 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 86970649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).