3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide

C22H27F2N3O3S — CID 68549276

IUPAC3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
SMILESCC(C)S(=O)(=O)NC1CCN(C)CC1c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C22H27F2N3O3S/c1-14(2)31(29,30)26-21-8-9-27(3)13-20(21)15-4-6-19(7-5-15)25-22(28)16-10-17(23)12-18(24)11-16/h4-7,10-12,14,20-21,26H,8-9,13H2,1-3H3,(H,25,28)
InChIKeyQZFBJPZPYHUGAA-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.33
Rot. Bonds6

About 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide

3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide (PubChem CID 68549276) has the molecular formula C22H27F2N3O3S and a molecular weight of 451.54 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
PubChem CID68549276
Molecular FormulaC22H27F2N3O3S
Molecular Weight451.54 g/mol
Exact Mass451.17
IUPAC Name3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
SMILESCC(C)S(=O)(=O)NC1CCN(C)CC1c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C22H27F2N3O3S/c1-14(2)31(29,30)26-21-8-9-27(3)13-20(21)15-4-6-19(7-5-15)25-22(28)16-10-17(23)12-18(24)11-16/h4-7,10-12,14,20-21,26H,8-9,13H2,1-3H3,(H,25,28)
InChIKeyQZFBJPZPYHUGAA-UHFFFAOYSA-N
XLogP3.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3S,4S)-1-acetyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]-3,5-difluorobenzamide
CID 68541385
3,5-difluoro-N-[4-[(1S,2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 10159252
3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103276
2,4-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103243
1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide
CID 69112646
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745
3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110473062
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
N-[4-(cyclopropylcarbamoylamino)phenyl]-3,5-difluorobenzamide
CID 52559092
3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide
CID 78150695
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide (CID 68549276) is 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide is CC(C)S(=O)(=O)NC1CCN(C)CC1c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide?
The InChIKey is QZFBJPZPYHUGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O3S/c1-14(2)31(29,30)26-21-8-9-27(3)13-20(21)15-4-6-19(7-5-15)25-22(28)16-10-17(23)12-18(24)11-16/h4-7,10-12,14,20-21,26H,8-9,13H2,1-3H3,(H,25,28).
What are the key properties of 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide?
3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide has a molecular weight of 451.54 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 68549276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).