4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide

C20H24F2N2O3S — CID 55694979

IUPAC4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C20H24F2N2O3S/c1-14(2)24(3)13-17-7-5-4-6-16(17)12-23-19(25)15-8-10-18(11-9-15)28(26,27)20(21)22/h4-11,14,20H,12-13H2,1-3H3,(H,23,25)
InChIKeyRRJIDKPJIVIYMB-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.45
Rot. Bonds8

About 4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide

4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide (PubChem CID 55694979) has the molecular formula C20H24F2N2O3S and a molecular weight of 410.49 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
PubChem CID55694979
Molecular FormulaC20H24F2N2O3S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C20H24F2N2O3S/c1-14(2)24(3)13-17-7-5-4-6-16(17)12-23-19(25)15-8-10-18(11-9-15)28(26,27)20(21)22/h4-11,14,20H,12-13H2,1-3H3,(H,23,25)
InChIKeyRRJIDKPJIVIYMB-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55584493
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55694833
3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46470339
3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46474128
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
CID 24550322
4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 8511792
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 55695089
2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
CID 119946480
4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55837884
3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide
CID 46456160
2-(4-bromophenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 46470222

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide (CID 55694979) is 4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide is CC(C)N(C)Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
The InChIKey is RRJIDKPJIVIYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3S/c1-14(2)24(3)13-17-7-5-4-6-16(17)12-23-19(25)15-8-10-18(11-9-15)28(26,27)20(21)22/h4-11,14,20H,12-13H2,1-3H3,(H,23,25).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide?
4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide has a molecular weight of 410.49 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 55694979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).