N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide

C18H27NO4S — CID 71895706

IUPACN-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide
SMILESCOc1ccccc1CS(=O)(=O)CC(=O)NC1CCCCCCC1
InChIInChI=1S/C18H27NO4S/c1-23-17-12-8-7-9-15(17)13-24(21,22)14-18(20)19-16-10-5-3-2-4-6-11-16/h7-9,12,16H,2-6,10-11,13-14H2,1H3,(H,19,20)
InChIKeyGMAGPUDXZJGKKS-UHFFFAOYSA-N
MW353.48 g/mol
LogP2.84
Rot. Bonds6

About N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide

N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide (PubChem CID 71895706) has the molecular formula C18H27NO4S and a molecular weight of 353.48 g/mol. Its IUPAC name is N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide
PubChem CID71895706
Molecular FormulaC18H27NO4S
Molecular Weight353.48 g/mol
Exact Mass353.17
IUPAC NameN-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide
SMILESCOc1ccccc1CS(=O)(=O)CC(=O)NC1CCCCCCC1
InChIInChI=1S/C18H27NO4S/c1-23-17-12-8-7-9-15(17)13-24(21,22)14-18(20)19-16-10-5-3-2-4-6-11-16/h7-9,12,16H,2-6,10-11,13-14H2,1H3,(H,19,20)
InChIKeyGMAGPUDXZJGKKS-UHFFFAOYSA-N
XLogP2.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide?
The IUPAC name of N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide (CID 71895706) is N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide is COc1ccccc1CS(=O)(=O)CC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide?
The InChIKey is GMAGPUDXZJGKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4S/c1-23-17-12-8-7-9-15(17)13-24(21,22)14-18(20)19-16-10-5-3-2-4-6-11-16/h7-9,12,16H,2-6,10-11,13-14H2,1H3,(H,19,20).
What are the key properties of N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide?
N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide has a molecular weight of 353.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[(2-methoxyphenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 71895706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).