N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide

C18H28N2O3S — CID 71882424

IUPACN-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide
SMILESCS(=O)(=O)Cc1ccccc1NCC(=O)NC1CCCCCCC1
InChIInChI=1S/C18H28N2O3S/c1-24(22,23)14-15-9-7-8-12-17(15)19-13-18(21)20-16-10-5-3-2-4-6-11-16/h7-9,12,16,19H,2-6,10-11,13-14H2,1H3,(H,20,21)
InChIKeyNFKNKFJBFXPRHS-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.87
Rot. Bonds6

About N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide

N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide (PubChem CID 71882424) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide
PubChem CID71882424
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide
SMILESCS(=O)(=O)Cc1ccccc1NCC(=O)NC1CCCCCCC1
InChIInChI=1S/C18H28N2O3S/c1-24(22,23)14-15-9-7-8-12-17(15)19-13-18(21)20-16-10-5-3-2-4-6-11-16/h7-9,12,16,19H,2-6,10-11,13-14H2,1H3,(H,20,21)
InChIKeyNFKNKFJBFXPRHS-UHFFFAOYSA-N
XLogP2.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(2-ethylanilino)acetamide
CID 60631370
2-[2-(methylsulfonylmethyl)anilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 52537482
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 86930985
N-cyclohexyl-3-(2-ethylanilino)propanamide
CID 109014016
2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide
CID 34067869
N-cyclopropyl-2-[2-(methylsulfamoyl)anilino]acetamide
CID 43568446
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
N-cyclopropyl-2-[2-(propan-2-ylsulfamoyl)anilino]acetamide
CID 43568444
N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide
CID 112822832
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
CID 86911442
N-cyclopropyl-2-[2-(ethylsulfamoyl)anilino]acetamide
CID 43568435

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide?
The IUPAC name of N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide (CID 71882424) is N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide is CS(=O)(=O)Cc1ccccc1NCC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide?
The InChIKey is NFKNKFJBFXPRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-24(22,23)14-15-9-7-8-12-17(15)19-13-18(21)20-16-10-5-3-2-4-6-11-16/h7-9,12,16,19H,2-6,10-11,13-14H2,1H3,(H,20,21).
What are the key properties of N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide?
N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide has a molecular weight of 352.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[2-(methylsulfonylmethyl)anilino]acetamide is sourced from PubChem (CID 71882424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).