2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide

C22H27F2N3O4S — CID 67420131

IUPAC2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
SMILESCN(C)S(=O)(=O)C(NC(=O)c1ccccc1OC(F)F)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C22H27F2N3O4S/c1-27(2)32(29,30)20(22(12-14-25-15-13-22)16-8-4-3-5-9-16)26-19(28)17-10-6-7-11-18(17)31-21(23)24/h3-11,20-21,25H,12-15H2,1-2H3,(H,26,28)
InChIKeyMLVAYCKDERHGBK-UHFFFAOYSA-N
MW467.54 g/mol
LogP2.56
Rot. Bonds8

About 2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide

2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide (PubChem CID 67420131) has the molecular formula C22H27F2N3O4S and a molecular weight of 467.54 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
PubChem CID67420131
Molecular FormulaC22H27F2N3O4S
Molecular Weight467.54 g/mol
Exact Mass467.17
IUPAC Name2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
SMILESCN(C)S(=O)(=O)C(NC(=O)c1ccccc1OC(F)F)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C22H27F2N3O4S/c1-27(2)32(29,30)20(22(12-14-25-15-13-22)16-8-4-3-5-9-16)26-19(28)17-10-6-7-11-18(17)31-21(23)24/h3-11,20-21,25H,12-15H2,1-2H3,(H,26,28)
InChIKeyMLVAYCKDERHGBK-UHFFFAOYSA-N
XLogP2.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 67420672
N-[[4-(cyclohexen-1-yl)piperidin-4-yl]-(dimethylsulfamoyl)methyl]-2-(trifluoromethoxy)benzamide
CID 22240616
2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide
CID 67420983
N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 67428801
2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
CID 67504804
1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid
CID 81158711
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide (CID 67420131) is 2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide is CN(C)S(=O)(=O)C(NC(=O)c1ccccc1OC(F)F)C1(c2ccccc2)CCNCC1.
What is the InChIKey of 2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide?
The InChIKey is MLVAYCKDERHGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O4S/c1-27(2)32(29,30)20(22(12-14-25-15-13-22)16-8-4-3-5-9-16)26-19(28)17-10-6-7-11-18(17)31-21(23)24/h3-11,20-21,25H,12-15H2,1-2H3,(H,26,28).
What are the key properties of 2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide?
2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide has a molecular weight of 467.54 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 67420131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).