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

C26H33N3O4S — CID 46454888

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H33N3O4S/c1-19-7-11-23(12-8-19)28-34(32,33)24-13-9-20(10-14-24)25(30)27-22-15-17-29(18-16-22)26(31)21-5-3-2-4-6-21/h7-14,21-22,28H,2-6,15-18H2,1H3,(H,27,30)
InChIKeyGYLBLEYYGSGEHU-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.10
Rot. Bonds6

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

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 46454888) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID46454888
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H33N3O4S/c1-19-7-11-23(12-8-19)28-34(32,33)24-13-9-20(10-14-24)25(30)27-22-15-17-29(18-16-22)26(31)21-5-3-2-4-6-21/h7-14,21-22,28H,2-6,15-18H2,1H3,(H,27,30)
InChIKeyGYLBLEYYGSGEHU-UHFFFAOYSA-N
XLogP4.10
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 16606706
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 46540127
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 46463867
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55690874
N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
CID 46537325
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide
CID 46386260
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 49189674
4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855543
N-cyclopentyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386307

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide (CID 46454888) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)cc2)cc1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is GYLBLEYYGSGEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-19-7-11-23(12-8-19)28-34(32,33)24-13-9-20(10-14-24)25(30)27-22-15-17-29(18-16-22)26(31)21-5-3-2-4-6-21/h7-14,21-22,28H,2-6,15-18H2,1H3,(H,27,30).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 483.63 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46454888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).