4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide

C21H25F3N4O3S — CID 69185428

IUPAC4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)nc1)c1ccc(NS(=O)(=O)CCC2CCCNC2)cc1
InChIInChI=1S/C21H25F3N4O3S/c22-21(23,24)19-8-3-16(13-26-19)14-27-20(29)17-4-6-18(7-5-17)28-32(30,31)11-9-15-2-1-10-25-12-15/h3-8,13,15,25,28H,1-2,9-12,14H2,(H,27,29)
InChIKeyJKUJLXNOFGAHNK-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.16
Rot. Bonds8

About 4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide

4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide (PubChem CID 69185428) has the molecular formula C21H25F3N4O3S and a molecular weight of 470.52 g/mol. Its IUPAC name is 4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
PubChem CID69185428
Molecular FormulaC21H25F3N4O3S
Molecular Weight470.52 g/mol
Exact Mass470.16
IUPAC Name4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)nc1)c1ccc(NS(=O)(=O)CCC2CCCNC2)cc1
InChIInChI=1S/C21H25F3N4O3S/c22-21(23,24)19-8-3-16(13-26-19)14-27-20(29)17-4-6-18(7-5-17)28-32(30,31)11-9-15-2-1-10-25-12-15/h3-8,13,15,25,28H,1-2,9-12,14H2,(H,27,29)
InChIKeyJKUJLXNOFGAHNK-UHFFFAOYSA-N
XLogP3.16
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 71197021
4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide
CID 119462922
2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 90261944
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119979610
N-[(4-morpholin-2-ylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240344
4-(phenylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461716
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 58315615
4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555746
4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557704

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide (CID 69185428) is 4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide is O=C(NCc1ccc(C(F)(F)F)nc1)c1ccc(NS(=O)(=O)CCC2CCCNC2)cc1.
What is the InChIKey of 4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The InChIKey is JKUJLXNOFGAHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O3S/c22-21(23,24)19-8-3-16(13-26-19)14-27-20(29)17-4-6-18(7-5-17)28-32(30,31)11-9-15-2-1-10-25-12-15/h3-8,13,15,25,28H,1-2,9-12,14H2,(H,27,29).
What are the key properties of 4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide has a molecular weight of 470.52 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 69185428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).