N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide

C27H32N4O3S — CID 60517834

IUPACN-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)C1
InChIInChI=1S/C27H32N4O3S/c1-20-15-21(2)18-31(17-20)19-24-6-4-3-5-23(24)16-29-27(32)22-7-9-26(10-8-22)35(33,34)30-25-11-13-28-14-12-25/h3-14,20-21H,15-19H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyFZJPKFZPLKDCKD-UHFFFAOYSA-N
MW492.65 g/mol
LogP4.29
Rot. Bonds8

About N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide

N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide (PubChem CID 60517834) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
PubChem CID60517834
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC NameN-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)C1
InChIInChI=1S/C27H32N4O3S/c1-20-15-21(2)18-31(17-20)19-24-6-4-3-5-23(24)16-29-27(32)22-7-9-26(10-8-22)35(33,34)30-25-11-13-28-14-12-25/h3-14,20-21H,15-19H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyFZJPKFZPLKDCKD-UHFFFAOYSA-N
XLogP4.29
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)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

4-[[4-[(1R)-1-hydroxyethyl]phenyl]sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 40973564
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55713803
N-[2-(2-methylphenyl)ethyl]-4-(pyridin-4-ylsulfamoyl)benzamide
CID 35994898
N-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-4-(phenylsulfamoyl)benzamide
CID 52741034
3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60517608
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
CID 36900818
4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 42121264
N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 51947396
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154834685
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55735264
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 60517749

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide?
The IUPAC name of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide (CID 60517834) is N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide?
The canonical SMILES for N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide is CC1CC(C)CN(Cc2ccccc2CNC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)C1.
What is the InChIKey of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide?
The InChIKey is FZJPKFZPLKDCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-20-15-21(2)18-31(17-20)19-24-6-4-3-5-23(24)16-29-27(32)22-7-9-26(10-8-22)35(33,34)30-25-11-13-28-14-12-25/h3-14,20-21H,15-19H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide?
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide has a molecular weight of 492.65 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide is sourced from PubChem (CID 60517834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).