2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide

C16H24N2O3S — CID 110736272

IUPAC2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
SMILESCc1ccccc1CC(=O)NCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H24N2O3S/c1-13-5-3-4-6-15(13)11-16(19)17-12-14-7-9-18(10-8-14)22(2,20)21/h3-6,14H,7-12H2,1-2H3,(H,17,19)
InChIKeyFTXQGWYHUBBXDQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.33
Rot. Bonds5

About 2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide

2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide (PubChem CID 110736272) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
PubChem CID110736272
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
SMILESCc1ccccc1CC(=O)NCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H24N2O3S/c1-13-5-3-4-6-15(13)11-16(19)17-12-14-7-9-18(10-8-14)22(2,20)21/h3-6,14H,7-12H2,1-2H3,(H,17,19)
InChIKeyFTXQGWYHUBBXDQ-UHFFFAOYSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
CID 51130150
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 110736193
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 47156970
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110736265
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359981
1-benzyl-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 110953290
1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide
CID 110714984
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 99320484
2-[(2-methoxyphenyl)methyl]-1-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 119120999
3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide
CID 131941530
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71961606

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide (CID 110736272) is 2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide is Cc1ccccc1CC(=O)NCC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide?
The InChIKey is FTXQGWYHUBBXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-5-3-4-6-15(13)11-16(19)17-12-14-7-9-18(10-8-14)22(2,20)21/h3-6,14H,7-12H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide?
2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide has a molecular weight of 324.45 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 110736272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).