3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide

C22H28N2O6S — CID 163363376

IUPAC3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C22H28N2O6S/c1-28-19-13-17(22(25)23-18-9-11-24(12-10-18)31(3,26)27)14-20(29-2)21(19)30-15-16-7-5-4-6-8-16/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,23,25)
InChIKeyCXELZYJLRAZZSR-UHFFFAOYSA-N
MW448.54 g/mol
LogP2.44
Rot. Bonds8

About 3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide

3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide (PubChem CID 163363376) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide
PubChem CID163363376
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C22H28N2O6S/c1-28-19-13-17(22(25)23-18-9-11-24(12-10-18)31(3,26)27)14-20(29-2)21(19)30-15-16-7-5-4-6-8-16/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,23,25)
InChIKeyCXELZYJLRAZZSR-UHFFFAOYSA-N
XLogP2.44
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736788
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide
CID 47910567
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide
CID 11719777
N-[1-[iodo(phenyl)methyl]piperidin-4-yl]-3-methoxy-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 69045688
3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45205527
N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide
CID 175019852
N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55429489

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide?
The IUPAC name of 3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide (CID 163363376) is 3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide?
The canonical SMILES for 3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide is COc1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide?
The InChIKey is CXELZYJLRAZZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-28-19-13-17(22(25)23-18-9-11-24(12-10-18)31(3,26)27)14-20(29-2)21(19)30-15-16-7-5-4-6-8-16/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,23,25).
What are the key properties of 3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide?
3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide has a molecular weight of 448.54 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 163363376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).