N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide

C21H31N3O5S — CID 46463867

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O5S/c1-23(29-2)30(27,28)19-10-8-16(9-11-19)20(25)22-18-12-14-24(15-13-18)21(26)17-6-4-3-5-7-17/h8-11,17-18H,3-7,12-15H2,1-2H3,(H,22,25)
InChIKeyUNBOPOWBWFLLLT-UHFFFAOYSA-N
MW437.56 g/mol
LogP2.17
Rot. Bonds6

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 46463867) has the molecular formula C21H31N3O5S and a molecular weight of 437.56 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID46463867
Molecular FormulaC21H31N3O5S
Molecular Weight437.56 g/mol
Exact Mass437.20
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O5S/c1-23(29-2)30(27,28)19-10-8-16(9-11-19)20(25)22-18-12-14-24(15-13-18)21(26)17-6-4-3-5-7-17/h8-11,17-18H,3-7,12-15H2,1-2H3,(H,22,25)
InChIKeyUNBOPOWBWFLLLT-UHFFFAOYSA-N
XLogP2.17
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclooctyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 17490358
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 46454888
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55690874
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 46540127
4-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 55501544
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide
CID 26244416
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide
CID 55690965
N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55690038
N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55468843
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55690819

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide (CID 46463867) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is UNBOPOWBWFLLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O5S/c1-23(29-2)30(27,28)19-10-8-16(9-11-19)20(25)22-18-12-14-24(15-13-18)21(26)17-6-4-3-5-7-17/h8-11,17-18H,3-7,12-15H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 437.56 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 46463867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).