N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide

C17H25NO3S — CID 78852248

IUPACN-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
SMILESCc1cccc(CS(=O)(=O)CC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C17H25NO3S/c1-14-7-6-8-15(11-14)12-22(20,21)13-17(19)18(2)16-9-4-3-5-10-16/h6-8,11,16H,3-5,9-10,12-13H2,1-2H3
InChIKeyZPVVVFPXWINYNI-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.70
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide

N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide (PubChem CID 78852248) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
PubChem CID78852248
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
SMILESCc1cccc(CS(=O)(=O)CC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C17H25NO3S/c1-14-7-6-8-15(11-14)12-22(20,21)13-17(19)18(2)16-9-4-3-5-10-16/h6-8,11,16H,3-5,9-10,12-13H2,1-2H3
InChIKeyZPVVVFPXWINYNI-UHFFFAOYSA-N
XLogP2.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
CID 78852588
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085
2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
CID 78852410
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076157
N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide
CID 62313193
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine
CID 104754194
ethyl 4-[(3-methylphenyl)methylsulfonyl]-3-oxobutanoate
CID 64636954
N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide
CID 4531956
2-[(4-bromophenyl)methylsulfonyl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 112826333
N-cyclohexyl-3-[(2,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 51274726
N-(2-aminoethyl)-N-cyclopentyl-2-(3-methylphenyl)acetamide
CID 63754808

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide (CID 78852248) is N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide is Cc1cccc(CS(=O)(=O)CC(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide?
The InChIKey is ZPVVVFPXWINYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-14-7-6-8-15(11-14)12-22(20,21)13-17(19)18(2)16-9-4-3-5-10-16/h6-8,11,16H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide?
N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide has a molecular weight of 323.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 78852248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).