N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide

C22H28N2O4S — CID 55690038

IUPACN-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-24(28-2)29(26,27)20-15-13-19(14-16-20)22(25)23-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,13-16,18,21H,4,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyHYXWJBZVFPLCDJ-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.92
Rot. Bonds7

About N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide

N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 55690038) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID55690038
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-24(28-2)29(26,27)20-15-13-19(14-16-20)22(25)23-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,13-16,18,21H,4,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyHYXWJBZVFPLCDJ-UHFFFAOYSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51296386
N-[cyclopropyl(phenyl)methyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18131655
N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46516145
N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 46513510
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
N-cyclooctyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 17490358
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
N-[(S)-cyclohexyl(phenyl)methyl]-4-methylsulfonyl-3-nitrobenzamide
CID 39025332
N-[cyclopropyl(phenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51334368
4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 43037303
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 46463867
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51217175

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide (CID 55690038) is N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is HYXWJBZVFPLCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-24(28-2)29(26,27)20-15-13-19(14-16-20)22(25)23-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,13-16,18,21H,4,7-8,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 416.54 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55690038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).