4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide

C22H26F2N2O3S — CID 60551422

IUPAC4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
SMILESCC1CCN(C(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2)CC1
InChIInChI=1S/C22H26F2N2O3S/c1-16-11-13-26(14-12-16)20(17-5-3-2-4-6-17)15-25-21(27)18-7-9-19(10-8-18)30(28,29)22(23)24/h2-10,16,20,22H,11-15H2,1H3,(H,25,27)
InChIKeyZOODNUNLTGNKFE-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.89
Rot. Bonds7

About 4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide

4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide (PubChem CID 60551422) has the molecular formula C22H26F2N2O3S and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
PubChem CID60551422
Molecular FormulaC22H26F2N2O3S
Molecular Weight436.52 g/mol
Exact Mass436.16
IUPAC Name4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
SMILESCC1CCN(C(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2)CC1
InChIInChI=1S/C22H26F2N2O3S/c1-16-11-13-26(14-12-16)20(17-5-3-2-4-6-17)15-25-21(27)18-7-9-19(10-8-18)30(28,29)22(23)24/h2-10,16,20,22H,11-15H2,1H3,(H,25,27)
InChIKeyZOODNUNLTGNKFE-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 60551693
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 60551856
4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 60533875
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide
CID 60552065
2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide
CID 111428047
[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 78768168
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
4-(2-methoxyethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 42937302

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide (CID 60551422) is 4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide is CC1CCN(C(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2)CC1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide?
The InChIKey is ZOODNUNLTGNKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O3S/c1-16-11-13-26(14-12-16)20(17-5-3-2-4-6-17)15-25-21(27)18-7-9-19(10-8-18)30(28,29)22(23)24/h2-10,16,20,22H,11-15H2,1H3,(H,25,27).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide?
4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide has a molecular weight of 436.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 60551422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).