N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide

C20H24N2O5S2 — CID 90592892

IUPACN-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C20H24N2O5S2/c1-21-20(23)15-28(24,25)18-10-12-22(13-11-18)29(26,27)19-9-5-8-17(14-19)16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3,(H,21,23)
InChIKeyMEUUAKPZFAFSCL-UHFFFAOYSA-N
MW436.56 g/mol
LogP1.67
Rot. Bonds6

About N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide

N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide (PubChem CID 90592892) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide
PubChem CID90592892
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC NameN-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C20H24N2O5S2/c1-21-20(23)15-28(24,25)18-10-12-22(13-11-18)29(26,27)19-9-5-8-17(14-19)16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3,(H,21,23)
InChIKeyMEUUAKPZFAFSCL-UHFFFAOYSA-N
XLogP1.67
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide
CID 90592831
N-methyl-2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidin-4-yl]sulfonylacetamide
CID 90592877
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592825
4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine
CID 90589542
N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592591
N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 120998970
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-(3-phenylphenyl)sulfonylpiperidine
CID 90592493
N-methyl-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592518
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592837
N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592568
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592852
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide?
The IUPAC name of N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide (CID 90592892) is N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide.
What is the SMILES notation for N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide?
The canonical SMILES for N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide is CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide?
The InChIKey is MEUUAKPZFAFSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-21-20(23)15-28(24,25)18-10-12-22(13-11-18)29(26,27)19-9-5-8-17(14-19)16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3,(H,21,23).
What are the key properties of N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide?
N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide has a molecular weight of 436.56 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide is sourced from PubChem (CID 90592892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).