N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide

C20H20N2O6S — CID 155541135

IUPACN-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
SMILESCOc1ccc2ccc(OCC(=O)NS(=O)(=O)c3ccc(N)cc3OC)cc2c1
InChIInChI=1S/C20H20N2O6S/c1-26-16-6-3-13-4-7-17(10-14(13)9-16)28-12-20(23)22-29(24,25)19-8-5-15(21)11-18(19)27-2/h3-11H,12,21H2,1-2H3,(H,22,23)
InChIKeyJLIDTTQDLTURSD-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.32
Rot. Bonds7

About N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide

N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide (PubChem CID 155541135) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
PubChem CID155541135
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC NameN-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
SMILESCOc1ccc2ccc(OCC(=O)NS(=O)(=O)c3ccc(N)cc3OC)cc2c1
InChIInChI=1S/C20H20N2O6S/c1-26-16-6-3-13-4-7-17(10-14(13)9-16)28-12-20(23)22-29(24,25)19-8-5-15(21)11-18(19)27-2/h3-11H,12,21H2,1-2H3,(H,22,23)
InChIKeyJLIDTTQDLTURSD-UHFFFAOYSA-N
XLogP2.32
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide (CID 155541135) is N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide is COc1ccc2ccc(OCC(=O)NS(=O)(=O)c3ccc(N)cc3OC)cc2c1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide?
The InChIKey is JLIDTTQDLTURSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-26-16-6-3-13-4-7-17(10-14(13)9-16)28-12-20(23)22-29(24,25)19-8-5-15(21)11-18(19)27-2/h3-11H,12,21H2,1-2H3,(H,22,23).
What are the key properties of N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide?
N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide has a molecular weight of 416.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)sulfonyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 155541135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).