2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide

C21H26N2O5S — CID 108560151

IUPAC2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC(NC(=O)c2ccccc2O)CC1
InChIInChI=1S/C21H26N2O5S/c1-14-12-19(28-3)20(13-15(14)2)29(26,27)23-10-8-16(9-11-23)22-21(25)17-6-4-5-7-18(17)24/h4-7,12-13,16,24H,8-11H2,1-3H3,(H,22,25)
InChIKeyRFJWUENOHUIAKA-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.60
Rot. Bonds5

About 2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide

2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 108560151) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID108560151
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC(NC(=O)c2ccccc2O)CC1
InChIInChI=1S/C21H26N2O5S/c1-14-12-19(28-3)20(13-15(14)2)29(26,27)23-10-8-16(9-11-23)22-21(25)17-6-4-5-7-18(17)24/h4-7,12-13,16,24H,8-11H2,1-3H3,(H,22,25)
InChIKeyRFJWUENOHUIAKA-UHFFFAOYSA-N
XLogP2.60
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108560402
N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561738
2-(4-fluorophenyl)-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559494
2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559899
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566975
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218818
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-sulfanylbenzamide
CID 108561601
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide (CID 108560151) is 2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide is COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(NC(=O)c2ccccc2O)CC1.
What is the InChIKey of 2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is RFJWUENOHUIAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-14-12-19(28-3)20(13-15(14)2)29(26,27)23-10-8-16(9-11-23)22-21(25)17-6-4-5-7-18(17)24/h4-7,12-13,16,24H,8-11H2,1-3H3,(H,22,25).
What are the key properties of 2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 108560151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).