N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide

C20H27N3O3S — CID 5307303

IUPACN-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C20H27N3O3S/c1-23(15-19(24)22-17-11-5-3-2-4-6-12-17)27(25,26)18-13-7-9-16-10-8-14-21-20(16)18/h7-10,13-14,17H,2-6,11-12,15H2,1H3,(H,22,24)
InChIKeyRMBHAKYMXATDNZ-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.08
Rot. Bonds5

About N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide

N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide (PubChem CID 5307303) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
PubChem CID5307303
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C20H27N3O3S/c1-23(15-19(24)22-17-11-5-3-2-4-6-12-17)27(25,26)18-13-7-9-16-10-8-14-21-20(16)18/h7-10,13-14,17H,2-6,11-12,15H2,1H3,(H,22,24)
InChIKeyRMBHAKYMXATDNZ-UHFFFAOYSA-N
XLogP3.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
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 ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The IUPAC name of N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide (CID 5307303) is N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide is CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The InChIKey is RMBHAKYMXATDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-23(15-19(24)22-17-11-5-3-2-4-6-12-17)27(25,26)18-13-7-9-16-10-8-14-21-20(16)18/h7-10,13-14,17H,2-6,11-12,15H2,1H3,(H,22,24).
What are the key properties of N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide has a molecular weight of 389.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 5307303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).