2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide

C22H28N2O3S — CID 55745159

IUPAC2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)c1
InChIInChI=1S/C22H28N2O3S/c1-16-5-4-6-18(13-16)15-24-11-9-19(10-12-24)23-22(25)21-14-20(28(3,26)27)8-7-17(21)2/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,23,25)
InChIKeyKSEXSPLHYFOZFD-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.10
Rot. Bonds5

About 2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide

2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide (PubChem CID 55745159) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
PubChem CID55745159
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)c1
InChIInChI=1S/C22H28N2O3S/c1-16-5-4-6-18(13-16)15-24-11-9-19(10-12-24)23-22(25)21-14-20(28(3,26)27)8-7-17(21)2/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,23,25)
InChIKeyKSEXSPLHYFOZFD-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482213
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
CID 55964244
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55735053
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482229
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55754112
N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide
CID 55532512
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide (CID 55745159) is 2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide is Cc1cccc(CN2CCC(NC(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)c1.
What is the InChIKey of 2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide?
The InChIKey is KSEXSPLHYFOZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-5-4-6-18(13-16)15-24-11-9-19(10-12-24)23-22(25)21-14-20(28(3,26)27)8-7-17(21)2/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,23,25).
What are the key properties of 2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide?
2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 55745159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).