N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide

C22H41N3O6S — CID 20643299

IUPACN-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)N(C)CC1CN(CCCCCCN2CCOC2=O)C(=O)O1
InChIInChI=1S/C22H41N3O6S/c1-3-4-5-6-9-12-17-32(28,29)23(2)18-20-19-25(22(27)31-20)14-11-8-7-10-13-24-15-16-30-21(24)26/h20H,3-19H2,1-2H3
InChIKeyWZOQFWXBKUDMBM-UHFFFAOYSA-N
MW475.65 g/mol
LogP3.44
Rot. Bonds17

About N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide

N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide (PubChem CID 20643299) has the molecular formula C22H41N3O6S and a molecular weight of 475.65 g/mol. Its IUPAC name is N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide
PubChem CID20643299
Molecular FormulaC22H41N3O6S
Molecular Weight475.65 g/mol
Exact Mass475.27
IUPAC NameN-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)N(C)CC1CN(CCCCCCN2CCOC2=O)C(=O)O1
InChIInChI=1S/C22H41N3O6S/c1-3-4-5-6-9-12-17-32(28,29)23(2)18-20-19-25(22(27)31-20)14-11-8-7-10-13-24-15-16-30-21(24)26/h20H,3-19H2,1-2H3
InChIKeyWZOQFWXBKUDMBM-UHFFFAOYSA-N
XLogP3.44
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.65
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide with MolForge

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Related Compounds

CID 101148635
CID 101148635
CID 165365481
CID 165365481

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide?
The IUPAC name of N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide (CID 20643299) is N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide?
The canonical SMILES for N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide is CCCCCCCCS(=O)(=O)N(C)CC1CN(CCCCCCN2CCOC2=O)C(=O)O1.
What is the InChIKey of N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide?
The InChIKey is WZOQFWXBKUDMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O6S/c1-3-4-5-6-9-12-17-32(28,29)23(2)18-20-19-25(22(27)31-20)14-11-8-7-10-13-24-15-16-30-21(24)26/h20H,3-19H2,1-2H3.
What are the key properties of N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide?
N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide has a molecular weight of 475.65 g/mol, XLogP of 3.44, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-oxo-3-[6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]-1,3-oxazolidin-5-yl]methyl]octane-1-sulfonamide is sourced from PubChem (CID 20643299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).