2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide

C20H18N2O8S — CID 155544849

IUPAC2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide
SMILESCOc1ccc2ccc(OCC(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)cc2c1
InChIInChI=1S/C20H18N2O8S/c1-28-16-6-3-13-4-7-17(10-14(13)9-16)30-12-20(23)21-31(26,27)19-8-5-15(22(24)25)11-18(19)29-2/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyAJSIZYODINGFTH-UHFFFAOYSA-N
MW446.44 g/mol
LogP2.65
Rot. Bonds8

About 2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide

2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide (PubChem CID 155544849) has the molecular formula C20H18N2O8S and a molecular weight of 446.44 g/mol. Its IUPAC name is 2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide
PubChem CID155544849
Molecular FormulaC20H18N2O8S
Molecular Weight446.44 g/mol
Exact Mass446.08
IUPAC Name2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide
SMILESCOc1ccc2ccc(OCC(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)cc2c1
InChIInChI=1S/C20H18N2O8S/c1-28-16-6-3-13-4-7-17(10-14(13)9-16)30-12-20(23)21-31(26,27)19-8-5-15(22(24)25)11-18(19)29-2/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyAJSIZYODINGFTH-UHFFFAOYSA-N
XLogP2.65
TPSA134.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide?
The IUPAC name of 2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide (CID 155544849) is 2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide.
What is the SMILES notation for 2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide?
The canonical SMILES for 2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide is COc1ccc2ccc(OCC(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)cc2c1.
What is the InChIKey of 2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide?
The InChIKey is AJSIZYODINGFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O8S/c1-28-16-6-3-13-4-7-17(10-14(13)9-16)30-12-20(23)21-31(26,27)19-8-5-15(22(24)25)11-18(19)29-2/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide?
2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide has a molecular weight of 446.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methoxy-4-nitrophenyl)sulfonylacetamide is sourced from PubChem (CID 155544849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).