N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide

C16H22N2O4S — CID 90592749

IUPACN-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C16H22N2O4S/c1-12-4-3-5-13(10-12)16(20)18-8-6-14(7-9-18)23(21,22)11-15(19)17-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyZSYUEKSZRZWSRZ-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.76
Rot. Bonds4

About N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide

N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide (PubChem CID 90592749) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
PubChem CID90592749
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C16H22N2O4S/c1-12-4-3-5-13(10-12)16(20)18-8-6-14(7-9-18)23(21,22)11-15(19)17-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyZSYUEKSZRZWSRZ-UHFFFAOYSA-N
XLogP0.76
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592768
2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592529
N-methyl-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592518
N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide
CID 90592506
N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592591
2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592519
2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592548
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
2-[1-[4-(2-methoxyethoxy)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592646
2-[1-(4-butoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592559
N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592568
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide?
The IUPAC name of N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide (CID 90592749) is N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide.
What is the SMILES notation for N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide?
The canonical SMILES for N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide?
The InChIKey is ZSYUEKSZRZWSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-12-4-3-5-13(10-12)16(20)18-8-6-14(7-9-18)23(21,22)11-15(19)17-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide?
N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide has a molecular weight of 338.43 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide is sourced from PubChem (CID 90592749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).