(E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate

C15H20NO6S- — CID 9160581

IUPAC(E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
SMILESCCOCCCNS(=O)(=O)c1cc(/C=C/C(=O)[O-])ccc1OC
InChIInChI=1S/C15H21NO6S/c1-3-22-10-4-9-16-23(19,20)14-11-12(6-8-15(17)18)5-7-13(14)21-2/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,17,18)/p-1/b8-6+
InChIKeyLGVZVTPGYBFETC-SOFGYWHQSA-M
MW342.39 g/mol
LogP0.16
Rot. Bonds10

About (E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate

(E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate (PubChem CID 9160581) has the molecular formula C15H20NO6S- and a molecular weight of 342.39 g/mol. Its IUPAC name is (E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
PubChem CID9160581
Molecular FormulaC15H20NO6S-
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name(E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
SMILESCCOCCCNS(=O)(=O)c1cc(/C=C/C(=O)[O-])ccc1OC
InChIInChI=1S/C15H21NO6S/c1-3-22-10-4-9-16-23(19,20)14-11-12(6-8-15(17)18)5-7-13(14)21-2/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,17,18)/p-1/b8-6+
InChIKeyLGVZVTPGYBFETC-SOFGYWHQSA-M
XLogP0.16
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 46798919
4-[[5-(2-carboxyethenyl)-2-methoxyphenyl]sulfonylamino]butanoic acid
CID 2769939
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
(E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate
CID 9160607
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide
CID 106019817
2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 66486044
2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 110300192
(E)-3-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid
CID 9160552
(Z)-3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid
CID 2493130
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate?
The IUPAC name of (E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate (CID 9160581) is (E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate.
What is the SMILES notation for (E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate?
The canonical SMILES for (E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate is CCOCCCNS(=O)(=O)c1cc(/C=C/C(=O)[O-])ccc1OC.
What is the InChIKey of (E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate?
The InChIKey is LGVZVTPGYBFETC-SOFGYWHQSA-M. The full InChI is InChI=1S/C15H21NO6S/c1-3-22-10-4-9-16-23(19,20)14-11-12(6-8-15(17)18)5-7-13(14)21-2/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,17,18)/p-1/b8-6+.
What are the key properties of (E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate?
(E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate has a molecular weight of 342.39 g/mol, XLogP of 0.16, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate is sourced from PubChem (CID 9160581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).