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

C18H19NO5S — CID 7763166

IUPAC2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@]1(NC(=O)COc2ccc3ccccc3c2C=O)CCS(=O)(=O)C1
InChIInChI=1S/C18H19NO5S/c1-18(8-9-25(22,23)12-18)19-17(21)11-24-16-7-6-13-4-2-3-5-14(13)15(16)10-20/h2-7,10H,8-9,11-12H2,1H3,(H,19,21)/t18-/m1/s1
InChIKeyZHTCMGKBEVISCE-GOSISDBHSA-N
MW361.42 g/mol
LogP1.72
Rot. Bonds5

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

2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7763166) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7763166
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@]1(NC(=O)COc2ccc3ccccc3c2C=O)CCS(=O)(=O)C1
InChIInChI=1S/C18H19NO5S/c1-18(8-9-25(22,23)12-18)19-17(21)11-24-16-7-6-13-4-2-3-5-14(13)15(16)10-20/h2-7,10H,8-9,11-12H2,1H3,(H,19,21)/t18-/m1/s1
InChIKeyZHTCMGKBEVISCE-GOSISDBHSA-N
XLogP1.72
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 18157918
2-(4-bromo-2-formylphenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7819853
2-(2-acetamidophenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7867185
2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 42896247
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821291
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7818825
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 8708036
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956385
N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763455

Frequently Asked Questions

What is the IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 7763166) is 2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is C[C@@]1(NC(=O)COc2ccc3ccccc3c2C=O)CCS(=O)(=O)C1.
What is the InChIKey of 2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is ZHTCMGKBEVISCE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-18(8-9-25(22,23)12-18)19-17(21)11-24-16-7-6-13-4-2-3-5-14(13)15(16)10-20/h2-7,10H,8-9,11-12H2,1H3,(H,19,21)/t18-/m1/s1.
What are the key properties of 2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 361.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7763166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).