2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide

C17H32N2O3S — CID 2986754

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCCCC1)C1CCCCC1
InChIInChI=1S/C17H32N2O3S/c1-23(21,22)19(16-12-8-5-9-13-16)14-17(20)18-15-10-6-3-2-4-7-11-15/h15-16H,2-14H2,1H3,(H,18,20)
InChIKeyACNIZFQBQAGCOK-UHFFFAOYSA-N
MW344.52 g/mol
LogP2.81
Rot. Bonds5

About 2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide (PubChem CID 2986754) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide
PubChem CID2986754
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCCCC1)C1CCCCC1
InChIInChI=1S/C17H32N2O3S/c1-23(21,22)19(16-12-8-5-9-13-16)14-17(20)18-15-10-6-3-2-4-7-11-15/h15-16H,2-14H2,1H3,(H,18,20)
InChIKeyACNIZFQBQAGCOK-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[cyclopentyl(methylsulfonyl)amino]acetamide
CID 113148899
N-cyclohexyl-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136251
1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
CID 113065748
2-[cyclopentyl(methylsulfonyl)amino]-N-(2-methoxyethyl)acetamide
CID 113148836
1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]urea
CID 113065144
2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 1021971
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cycloheptylmethanesulfonamide
CID 113153097
N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
CID 113140503
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 113153099
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide (CID 2986754) is 2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide is CS(=O)(=O)N(CC(=O)NC1CCCCCCC1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide?
The InChIKey is ACNIZFQBQAGCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-23(21,22)19(16-12-8-5-9-13-16)14-17(20)18-15-10-6-3-2-4-7-11-15/h15-16H,2-14H2,1H3,(H,18,20).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide has a molecular weight of 344.52 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide is sourced from PubChem (CID 2986754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).