2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide

C22H25F3N2O4S — CID 134010325

IUPAC2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C22H25F3N2O4S/c1-15-6-11-19(32(29,30)27-12-4-3-5-16(27)2)13-20(15)21(28)26-17-7-9-18(10-8-17)31-14-22(23,24)25/h6-11,13,16H,3-5,12,14H2,1-2H3,(H,26,28)
InChIKeyZTFPJKKULMBXRW-UHFFFAOYSA-N
MW470.51 g/mol
LogP4.75
Rot. Bonds6

About 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide

2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 134010325) has the molecular formula C22H25F3N2O4S and a molecular weight of 470.51 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID134010325
Molecular FormulaC22H25F3N2O4S
Molecular Weight470.51 g/mol
Exact Mass470.15
IUPAC Name2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C22H25F3N2O4S/c1-15-6-11-19(32(29,30)27-12-4-3-5-16(27)2)13-20(15)21(28)26-17-7-9-18(10-8-17)31-14-22(23,24)25/h6-11,13,16H,3-5,12,14H2,1-2H3,(H,26,28)
InChIKeyZTFPJKKULMBXRW-UHFFFAOYSA-N
XLogP4.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55389570
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010401
methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
CID 55609673
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 55421315
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 36542393
(3R)-3-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]butanoic acid
CID 97314683
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119616294
2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46547891

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 134010325) is 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is ZTFPJKKULMBXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4S/c1-15-6-11-19(32(29,30)27-12-4-3-5-16(27)2)13-20(15)21(28)26-17-7-9-18(10-8-17)31-14-22(23,24)25/h6-11,13,16H,3-5,12,14H2,1-2H3,(H,26,28).
What are the key properties of 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 470.51 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 134010325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).