N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide

C20H23NO6S — CID 9009895

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)COc1ccc2ccccc2c1C=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H23NO6S/c1-26-10-9-21(16-8-11-28(24,25)14-16)20(23)13-27-19-7-6-15-4-2-3-5-17(15)18(19)12-22/h2-7,12,16H,8-11,13-14H2,1H3/t16-/m1/s1
InChIKeyMVEDZVBZIYLBPO-MRXNPFEDSA-N
MW405.47 g/mol
LogP1.69
Rot. Bonds8

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide (PubChem CID 9009895) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide
PubChem CID9009895
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)COc1ccc2ccccc2c1C=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H23NO6S/c1-26-10-9-21(16-8-11-28(24,25)14-16)20(23)13-27-19-7-6-15-4-2-3-5-17(15)18(19)12-22/h2-7,12,16H,8-11,13-14H2,1H3/t16-/m1/s1
InChIKeyMVEDZVBZIYLBPO-MRXNPFEDSA-N
XLogP1.69
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 9009834
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-naphthalen-1-yloxyacetamide
CID 7851016
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
[2-[[(3S)-1,1-dioxothiolan-3-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8631913
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 134060267
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949711
[2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7782875
1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(2-methylphenyl)urea
CID 108894182
methyl 3-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]propanoate
CID 43839701
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 112978311
1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869814

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide (CID 9009895) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide is COCCN(C(=O)COc1ccc2ccccc2c1C=O)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide?
The InChIKey is MVEDZVBZIYLBPO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-26-10-9-21(16-8-11-28(24,25)14-16)20(23)13-27-19-7-6-15-4-2-3-5-17(15)18(19)12-22/h2-7,12,16H,8-11,13-14H2,1H3/t16-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide has a molecular weight of 405.47 g/mol, XLogP of 1.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 9009895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).