3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide

C22H28N2O6S — CID 26073704

IUPAC3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O6S/c1-15-5-7-18(8-6-15)31(26,27)24-11-9-17(10-12-24)23-22(25)16-13-19(28-2)21(30-4)20(14-16)29-3/h5-8,13-14,17H,9-12H2,1-4H3,(H,23,25)
InChIKeyBNUURSCNHRDDPJ-UHFFFAOYSA-N
MW448.54 g/mol
LogP2.60
Rot. Bonds7

About 3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide

3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 26073704) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID26073704
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O6S/c1-15-5-7-18(8-6-15)31(26,27)24-11-9-17(10-12-24)23-22(25)16-13-19(28-2)21(30-4)20(14-16)29-3/h5-8,13-14,17H,9-12H2,1-4H3,(H,23,25)
InChIKeyBNUURSCNHRDDPJ-UHFFFAOYSA-N
XLogP2.60
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 122373730
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 24609608
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559133
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562939
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549305
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide (CID 26073704) is 3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide is COc1cc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is BNUURSCNHRDDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-15-5-7-18(8-6-15)31(26,27)24-11-9-17(10-12-24)23-22(25)16-13-19(28-2)21(30-4)20(14-16)29-3/h5-8,13-14,17H,9-12H2,1-4H3,(H,23,25).
What are the key properties of 3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 448.54 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 26073704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).