[5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate

C26H28N2O5S — CID 10206072

IUPAC[5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate
SMILESCN(C)CCOc1ccc(C2=C(c3ccc(O)cc3)CCc3cc(OS(N)(=O)=O)ccc32)cc1
InChIInChI=1S/C26H28N2O5S/c1-28(2)15-16-32-22-10-5-19(6-11-22)26-24(18-3-8-21(29)9-4-18)13-7-20-17-23(12-14-25(20)26)33-34(27,30)31/h3-6,8-12,14,17,29H,7,13,15-16H2,1-2H3,(H2,27,30,31)
InChIKeyXCZRTEULZCMLCQ-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.82
Rot. Bonds8

About [5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate

[5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate (PubChem CID 10206072) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is [5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate.

Molecular Properties

Compound Name[5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate
PubChem CID10206072
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name[5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate
SMILESCN(C)CCOc1ccc(C2=C(c3ccc(O)cc3)CCc3cc(OS(N)(=O)=O)ccc32)cc1
InChIInChI=1S/C26H28N2O5S/c1-28(2)15-16-32-22-10-5-19(6-11-22)26-24(18-3-8-21(29)9-4-18)13-7-20-17-23(12-14-25(20)26)33-34(27,30)31/h3-6,8-12,14,17,29H,7,13,15-16H2,1-2H3,(H2,27,30,31)
InChIKeyXCZRTEULZCMLCQ-UHFFFAOYSA-N
XLogP3.82
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate?
The IUPAC name of [5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate (CID 10206072) is [5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate.
What is the SMILES notation for [5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate?
The canonical SMILES for [5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate is CN(C)CCOc1ccc(C2=C(c3ccc(O)cc3)CCc3cc(OS(N)(=O)=O)ccc32)cc1.
What is the InChIKey of [5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate?
The InChIKey is XCZRTEULZCMLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-28(2)15-16-32-22-10-5-19(6-11-22)26-24(18-3-8-21(29)9-4-18)13-7-20-17-23(12-14-25(20)26)33-34(27,30)31/h3-6,8-12,14,17,29H,7,13,15-16H2,1-2H3,(H2,27,30,31).
What are the key properties of [5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate?
[5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate has a molecular weight of 480.59 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[2-(dimethylamino)ethoxy]phenyl]-6-(4-hydroxyphenyl)-7,8-dihydronaphthalen-2-yl] sulfamate is sourced from PubChem (CID 10206072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).