N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide

C20H27N3O3S — CID 71897999

IUPACN-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide
SMILESCc1nc2ccccc2nc1CS(=O)(=O)CC(=O)NC1CCCCCCC1
InChIInChI=1S/C20H27N3O3S/c1-15-19(23-18-12-8-7-11-17(18)21-15)13-27(25,26)14-20(24)22-16-9-5-3-2-4-6-10-16/h7-8,11-12,16H,2-6,9-10,13-14H2,1H3,(H,22,24)
InChIKeyACCILLKTROMGQK-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.08
Rot. Bonds5

About N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide

N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide (PubChem CID 71897999) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide
PubChem CID71897999
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide
SMILESCc1nc2ccccc2nc1CS(=O)(=O)CC(=O)NC1CCCCCCC1
InChIInChI=1S/C20H27N3O3S/c1-15-19(23-18-12-8-7-11-17(18)21-15)13-27(25,26)14-20(24)22-16-9-5-3-2-4-6-10-16/h7-8,11-12,16H,2-6,9-10,13-14H2,1H3,(H,22,24)
InChIKeyACCILLKTROMGQK-UHFFFAOYSA-N
XLogP3.08
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 20860697
2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide
CID 94804331
N-cycloheptyl-3-(3-methoxyquinoxalin-2-yl)propanamide
CID 6458077
N-cyclohexyl-2-quinolin-2-ylacetamide
CID 110464171
N-cyclopropyl-2-[(3-methylquinoxalin-2-yl)amino]acetamide
CID 60734132
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
2-[2-(cyclohexylamino)-2-oxoethyl]sulfonylacetic acid
CID 43186070
N-cyclopentyl-2-[(3-ethyl-2-methylquinolin-4-yl)amino]acetamide
CID 166202902
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
CID 860331
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
N-cyclohexyl-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110647492

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide?
The IUPAC name of N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide (CID 71897999) is N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide is Cc1nc2ccccc2nc1CS(=O)(=O)CC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide?
The InChIKey is ACCILLKTROMGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15-19(23-18-12-8-7-11-17(18)21-15)13-27(25,26)14-20(24)22-16-9-5-3-2-4-6-10-16/h7-8,11-12,16H,2-6,9-10,13-14H2,1H3,(H,22,24).
What are the key properties of N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide?
N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide has a molecular weight of 389.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[(3-methylquinoxalin-2-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 71897999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).