4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

C22H28N2O3S — CID 47047969

IUPAC4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1S(C)(=O)=O
InChIInChI=1S/C22H28N2O3S/c1-17-6-11-20(14-21(17)28(2,26)27)22(25)23-15-18-7-9-19(10-8-18)16-24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyMSUKPUDBMQVEPO-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.31
Rot. Bonds6

About 4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 47047969) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID47047969
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1S(C)(=O)=O
InChIInChI=1S/C22H28N2O3S/c1-17-6-11-20(14-21(17)28(2,26)27)22(25)23-15-18-7-9-19(10-8-18)16-24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyMSUKPUDBMQVEPO-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8546489
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767776
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17492372
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767222
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767219
2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide
CID 26447126
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767221
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (CID 47047969) is 4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is Cc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1S(C)(=O)=O.
What is the InChIKey of 4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is MSUKPUDBMQVEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17-6-11-20(14-21(17)28(2,26)27)22(25)23-15-18-7-9-19(10-8-18)16-24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of 4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 400.54 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 47047969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).