4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide

C20H24N2O4S — CID 110424980

IUPAC4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-26-18-11-6-15(14-19(18)27(2,24)25)20(23)21-16-7-9-17(10-8-16)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23)
InChIKeyXCQLHTJGESAGOP-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.34
Rot. Bonds5

About 4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide

4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 110424980) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID110424980
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-26-18-11-6-15(14-19(18)27(2,24)25)20(23)21-16-7-9-17(10-8-16)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23)
InChIKeyXCQLHTJGESAGOP-UHFFFAOYSA-N
XLogP3.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 16552462
3,4-dimethoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 2238784
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 17481283
N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892179
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 24537959
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 18892205
3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
CID 26654935
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99968232

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide (CID 110424980) is 4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1S(C)(=O)=O.
What is the InChIKey of 4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is XCQLHTJGESAGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-18-11-6-15(14-19(18)27(2,24)25)20(23)21-16-7-9-17(10-8-16)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23).
What are the key properties of 4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide?
4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 110424980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).