4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

C23H28F2N2O3S — CID 60515751

IUPAC4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cc2)C1
InChIInChI=1S/C23H28F2N2O3S/c1-16-11-17(2)14-27(13-16)15-19-5-3-18(4-6-19)12-26-22(28)20-7-9-21(10-8-20)31(29,30)23(24)25/h3-10,16-17,23H,11-15H2,1-2H3,(H,26,28)
InChIKeyDDSWZXYZVLSHHD-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.09
Rot. Bonds7

About 4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 60515751) has the molecular formula C23H28F2N2O3S and a molecular weight of 450.55 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID60515751
Molecular FormulaC23H28F2N2O3S
Molecular Weight450.55 g/mol
Exact Mass450.18
IUPAC Name4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cc2)C1
InChIInChI=1S/C23H28F2N2O3S/c1-16-11-17(2)14-27(13-16)15-19-5-3-18(4-6-19)12-26-22(28)20-7-9-21(10-8-20)31(29,30)23(24)25/h3-10,16-17,23H,11-15H2,1-2H3,(H,26,28)
InChIKeyDDSWZXYZVLSHHD-UHFFFAOYSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
4-(cyclopropanecarbonylamino)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 60515869
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 7925561
4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25402418
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55845140
3-amino-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119848746
4-amino-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitrobenzamide
CID 60515981
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 55742851
N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-ethylsulfonylbenzamide
CID 52628153
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47042053
4-(difluoromethylsulfonyl)-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78829467

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 60515751) is 4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is CC1CC(C)CN(Cc2ccc(CNC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cc2)C1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is DDSWZXYZVLSHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O3S/c1-16-11-17(2)14-27(13-16)15-19-5-3-18(4-6-19)12-26-22(28)20-7-9-21(10-8-20)31(29,30)23(24)25/h3-10,16-17,23H,11-15H2,1-2H3,(H,26,28).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 450.55 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 60515751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).