(E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide

C14H21NO4S — CID 47121888

IUPAC(E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide
SMILESCOCCOCCCNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H21NO4S/c1-18-11-12-19-10-5-9-15-20(16,17)13-8-14-6-3-2-4-7-14/h2-4,6-8,13,15H,5,9-12H2,1H3/b13-8+
InChIKeyRCTFBBUVKTVGBK-MDWZMJQESA-N
MW299.39 g/mol
LogP1.63
Rot. Bonds10

About (E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide

(E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide (PubChem CID 47121888) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is (E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide
PubChem CID47121888
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name(E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide
SMILESCOCCOCCCNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H21NO4S/c1-18-11-12-19-10-5-9-15-20(16,17)13-8-14-6-3-2-4-7-14/h2-4,6-8,13,15H,5,9-12H2,1H3/b13-8+
InChIKeyRCTFBBUVKTVGBK-MDWZMJQESA-N
XLogP1.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide
CID 103597906
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide
CID 55100588
N-(3-butoxypropyl)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 42910795
2-bromo-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 47121896
(E)-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)ethenesulfonamide
CID 8823993
propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
CID 139258056
2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
N-[3-(2-methoxyethoxy)propyl]-4-methylsulfonylbenzenesulfonamide
CID 55559817
(E)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylethenesulfonamide
CID 103834908

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide (CID 47121888) is (E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide is COCCOCCCNS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide?
The InChIKey is RCTFBBUVKTVGBK-MDWZMJQESA-N. The full InChI is InChI=1S/C14H21NO4S/c1-18-11-12-19-10-5-9-15-20(16,17)13-8-14-6-3-2-4-7-14/h2-4,6-8,13,15H,5,9-12H2,1H3/b13-8+.
What are the key properties of (E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide?
(E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 47121888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).