(E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide

C12H13NO5S — CID 175480997

IUPAC(E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N=S(=O)=O)cc1OC
InChIInChI=1S/C12H13NO5S/c1-3-18-10-6-4-9(8-11(10)17-2)5-7-12(14)13-19(15)16/h4-8H,3H2,1-2H3/b7-5+
InChIKeyHGJRWMJHDXLGCZ-FNORWQNLSA-N
MW283.31 g/mol
LogP1.70
Rot. Bonds5

About (E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide (PubChem CID 175480997) has the molecular formula C12H13NO5S and a molecular weight of 283.31 g/mol. Its IUPAC name is (E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide
PubChem CID175480997
Molecular FormulaC12H13NO5S
Molecular Weight283.31 g/mol
Exact Mass283.05
IUPAC Name(E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N=S(=O)=O)cc1OC
InChIInChI=1S/C12H13NO5S/c1-3-18-10-6-4-9(8-11(10)17-2)5-7-12(14)13-19(15)16/h4-8H,3H2,1-2H3/b7-5+
InChIKeyHGJRWMJHDXLGCZ-FNORWQNLSA-N
XLogP1.70
TPSA82.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1E,6E)-1-(4-ethoxy-3-methoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 176896377
(E)-1-(2,5-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one
CID 7515329
(E)-1-(5-bromothiophen-2-yl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one
CID 8833219
3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 719513
(E)-N-(2-aminoethyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82335664
N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 2789629
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857517
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183388
3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603198
(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732910

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide (CID 175480997) is (E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide is CCOc1ccc(/C=C/C(=O)N=S(=O)=O)cc1OC.
What is the InChIKey of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide?
The InChIKey is HGJRWMJHDXLGCZ-FNORWQNLSA-N. The full InChI is InChI=1S/C12H13NO5S/c1-3-18-10-6-4-9(8-11(10)17-2)5-7-12(14)13-19(15)16/h4-8H,3H2,1-2H3/b7-5+.
What are the key properties of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide?
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide has a molecular weight of 283.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-sulfonylprop-2-enamide is sourced from PubChem (CID 175480997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).