5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide

C20H26N2O5S — CID 88673614

IUPAC5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide
SMILESCCOc1ccccc1OCC/N=C(\C)Cc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H26N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14H,4,11-13H2,1-3H3,(H2,21,23,24)/b22-15+
InChIKeyUZJCQEZSELWOMH-PXLXIMEGSA-N
MW406.50 g/mol
LogP2.82
Rot. Bonds10

About 5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide

5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide (PubChem CID 88673614) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide
PubChem CID88673614
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide
SMILESCCOc1ccccc1OCC/N=C(\C)Cc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H26N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14H,4,11-13H2,1-3H3,(H2,21,23,24)/b22-15+
InChIKeyUZJCQEZSELWOMH-PXLXIMEGSA-N
XLogP2.82
TPSA100.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyphenoxy)ethyl-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]azanium
CID 36688118
5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide
CID 69116507
5-[2-[2-(2-ethoxyphenoxy)ethyl-nitrosoamino]propyl]-2-methoxybenzenesulfonamide
CID 170458080
CID 87816441
CID 87816441
5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydron;chloride
CID 74393239
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;oxalic acid
CID 25009120
N,N-diethyl-2-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 65373612
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;4-methylbenzenesulfonic acid
CID 87844412
5-[(2R)-1,1-dideuterio-2-[[2,2-dideuterio-2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide
CID 46841244
5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide
CID 118527249
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268
[2-[2-[[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]amino]ethoxy]phenyl] hydrogen sulfate
CID 154731599

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide (CID 88673614) is 5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide is CCOc1ccccc1OCC/N=C(\C)Cc1ccc(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide?
The InChIKey is UZJCQEZSELWOMH-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14H,4,11-13H2,1-3H3,(H2,21,23,24)/b22-15+.
What are the key properties of 5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide?
5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-ethoxyphenoxy)ethylimino]propyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 88673614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).