N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide

C21H26N2O4S — CID 131907172

IUPACN-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCCC(COc3ccccc3C)C2)cc1
InChIInChI=1S/C21H26N2O4S/c1-16-6-3-4-8-20(16)27-15-17-7-5-13-23(14-17)28(25,26)19-11-9-18(10-12-19)21(24)22-2/h3-4,6,8-12,17H,5,7,13-15H2,1-2H3,(H,22,24)
InChIKeyZHJKZXHWEZJEQH-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.83
Rot. Bonds6

About N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide

N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide (PubChem CID 131907172) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide
PubChem CID131907172
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCCC(COc3ccccc3C)C2)cc1
InChIInChI=1S/C21H26N2O4S/c1-16-6-3-4-8-20(16)27-15-17-7-5-13-23(14-17)28(25,26)19-11-9-18(10-12-19)21(24)22-2/h3-4,6,8-12,17H,5,7,13-15H2,1-2H3,(H,22,24)
InChIKeyZHJKZXHWEZJEQH-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 131923811
3-[(2-methylphenoxy)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 110410538
3-[(2-methylphenoxy)methyl]-1-propylsulfonylpiperidine
CID 110638480
ethyl (3R)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 27299704
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[2-(2-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 98879211
1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410419
4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide
CID 60958439
3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 110638702
N-[[(3R)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 92901350
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675979
2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482
2,2-dimethyl-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 110638458

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide (CID 131907172) is N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide is CNC(=O)c1ccc(S(=O)(=O)N2CCCC(COc3ccccc3C)C2)cc1.
What is the InChIKey of N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide?
The InChIKey is ZHJKZXHWEZJEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-6-3-4-8-20(16)27-15-17-7-5-13-23(14-17)28(25,26)19-11-9-18(10-12-19)21(24)22-2/h3-4,6,8-12,17H,5,7,13-15H2,1-2H3,(H,22,24).
What are the key properties of N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide?
N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 131907172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).