N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide

C20H24N2O3S — CID 2694596

IUPACN-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-5-7-17(8-6-16)15-21-20(23)18-9-11-19(12-10-18)26(24,25)22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyWYCQAAXRAQVLPS-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.10
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide

N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2694596) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2694596
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-5-7-17(8-6-16)15-21-20(23)18-9-11-19(12-10-18)26(24,25)22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyWYCQAAXRAQVLPS-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
4-methylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 78889639
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
2-[(4-methylphenyl)methylamino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824134
4-(5-methylpyrazol-1-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18209836
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide
CID 46450029
3-chloro-4-hydroxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18116541
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 8781280
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248719
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736256
6-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 46592420

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide (CID 2694596) is N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide is Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WYCQAAXRAQVLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-5-7-17(8-6-16)15-21-20(23)18-9-11-19(12-10-18)26(24,25)22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23).
What are the key properties of N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2694596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).