[2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate

C19H23NO7S — CID 137451049

IUPAC[2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate
SMILESCCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OS(N)(=O)=O
InChIInChI=1S/C19H23NO7S/c1-5-26-15-9-8-13(10-16(15)27-28(20,21)22)6-7-14-11-17(23-2)19(25-4)18(12-14)24-3/h6-12H,5H2,1-4H3,(H2,20,21,22)/b7-6+
InChIKeyOLZYETOBYVDFNY-VOTSOKGWSA-N
MW409.46 g/mol
LogP2.86
Rot. Bonds9

About [2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate

[2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate (PubChem CID 137451049) has the molecular formula C19H23NO7S and a molecular weight of 409.46 g/mol. Its IUPAC name is [2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate.

Molecular Properties

Compound Name[2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate
PubChem CID137451049
Molecular FormulaC19H23NO7S
Molecular Weight409.46 g/mol
Exact Mass409.12
IUPAC Name[2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate
SMILESCCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OS(N)(=O)=O
InChIInChI=1S/C19H23NO7S/c1-5-26-15-9-8-13(10-16(15)27-28(20,21)22)6-7-14-11-17(23-2)19(25-4)18(12-14)24-3/h6-12H,5H2,1-4H3,(H2,20,21,22)/b7-6+
InChIKeyOLZYETOBYVDFNY-VOTSOKGWSA-N
XLogP2.86
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
5-[(Z)-2-(3-fluorosulfonyloxy-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 163428609
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
2-ethyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 139943086
N-diethoxyphosphoryl-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 85046153
[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] sulfamate
CID 59455971
3,5-bis[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-1,2-oxazole
CID 46947067
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 56935715
4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
CID 76996860
(2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 11372975
1,2,3-trimethoxy-5-[(Z)-2-(4-methoxy-3-nitrosophenyl)ethenyl]benzene
CID 88896043

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate?
The IUPAC name of [2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate (CID 137451049) is [2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate.
What is the SMILES notation for [2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate?
The canonical SMILES for [2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate is CCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OS(N)(=O)=O.
What is the InChIKey of [2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate?
The InChIKey is OLZYETOBYVDFNY-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H23NO7S/c1-5-26-15-9-8-13(10-16(15)27-28(20,21)22)6-7-14-11-17(23-2)19(25-4)18(12-14)24-3/h6-12H,5H2,1-4H3,(H2,20,21,22)/b7-6+.
What are the key properties of [2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate?
[2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate has a molecular weight of 409.46 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate is sourced from PubChem (CID 137451049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).