N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide

C21H26N2O6S2 — CID 90592877

IUPACN-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3C)cc2)CC1
InChIInChI=1S/C21H26N2O6S2/c1-16-5-3-4-6-20(16)29-17-7-9-19(10-8-17)31(27,28)23-13-11-18(12-14-23)30(25,26)15-21(24)22-2/h3-10,18H,11-15H2,1-2H3,(H,22,24)
InChIKeyDONKQOQTMISYIW-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.10
Rot. Bonds7

About N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide

N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide (PubChem CID 90592877) has the molecular formula C21H26N2O6S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide
PubChem CID90592877
Molecular FormulaC21H26N2O6S2
Molecular Weight466.58 g/mol
Exact Mass466.12
IUPAC NameN-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3C)cc2)CC1
InChIInChI=1S/C21H26N2O6S2/c1-16-5-3-4-6-20(16)29-17-7-9-19(10-8-17)31(27,28)23-13-11-18(12-14-23)30(25,26)15-21(24)22-2/h3-10,18H,11-15H2,1-2H3,(H,22,24)
InChIKeyDONKQOQTMISYIW-UHFFFAOYSA-N
XLogP2.10
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide?
The IUPAC name of N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide (CID 90592877) is N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide.
What is the SMILES notation for N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide?
The canonical SMILES for N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide is CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3C)cc2)CC1.
What is the InChIKey of N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide?
The InChIKey is DONKQOQTMISYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S2/c1-16-5-3-4-6-20(16)29-17-7-9-19(10-8-17)31(27,28)23-13-11-18(12-14-23)30(25,26)15-21(24)22-2/h3-10,18H,11-15H2,1-2H3,(H,22,24).
What are the key properties of N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide?
N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide has a molecular weight of 466.58 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide is sourced from PubChem (CID 90592877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).