4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide

C26H35N3O4S — CID 16552462

IUPAC4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C26H35N3O4S/c1-19-8-4-5-9-23(19)28-34(31,32)25-18-20(10-15-24(25)33-2)26(30)27-21-11-13-22(14-12-21)29-16-6-3-7-17-29/h10-15,18-19,23,28H,3-9,16-17H2,1-2H3,(H,27,30)
InChIKeyPMCKCYLZRPJAEH-UHFFFAOYSA-N
MW485.65 g/mol
LogP4.79
Rot. Bonds7

About 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide

4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 16552462) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID16552462
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC Name4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C26H35N3O4S/c1-19-8-4-5-9-23(19)28-34(31,32)25-18-20(10-15-24(25)33-2)26(30)27-21-11-13-22(14-12-21)29-16-6-3-7-17-29/h10-15,18-19,23,28H,3-9,16-17H2,1-2H3,(H,27,30)
InChIKeyPMCKCYLZRPJAEH-UHFFFAOYSA-N
XLogP4.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 54.79
H-Bond Donors ≤ 52
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-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 110424980
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 42997457
4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 30282957
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 2565157
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46644366
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 43012308
cyanomethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 46607885
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
2-methoxy-N-(2-methylcyclohexyl)-5-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 46522904

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide (CID 16552462) is 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)NC1CCCCC1C.
What is the InChIKey of 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is PMCKCYLZRPJAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-19-8-4-5-9-23(19)28-34(31,32)25-18-20(10-15-24(25)33-2)26(30)27-21-11-13-22(14-12-21)29-16-6-3-7-17-29/h10-15,18-19,23,28H,3-9,16-17H2,1-2H3,(H,27,30).
What are the key properties of 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide?
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 485.65 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 16552462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).