(E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide

C19H21NO5S — CID 55612956

IUPAC(E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)/C=C/c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H21NO5S/c1-4-26(22,23)18-8-6-5-7-17(18)20-19(21)10-9-14-11-15(24-2)13-16(12-14)25-3/h5-13H,4H2,1-3H3,(H,20,21)/b10-9+
InChIKeyPBLXDQWMDCDYJJ-MDZDMXLPSA-N
MW375.45 g/mol
LogP3.15
Rot. Bonds7

About (E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide

(E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide (PubChem CID 55612956) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is (E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide
PubChem CID55612956
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name(E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)/C=C/c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H21NO5S/c1-4-26(22,23)18-8-6-5-7-17(18)20-19(21)10-9-14-11-15(24-2)13-16(12-14)25-3/h5-13H,4H2,1-3H3,(H,20,21)/b10-9+
InChIKeyPBLXDQWMDCDYJJ-MDZDMXLPSA-N
XLogP3.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 26688134
(E)-N-(2-ethylsulfonylphenyl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 55613509
(E)-4-(2-ethylsulfonylanilino)-4-oxobut-2-enoic acid
CID 54868479
N-[4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-2,5-diethoxyphenyl]benzamide
CID 46554620
(E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 17419491
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
(E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26692900
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
(E)-N-(4-bromo-2-chlorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26705873
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide (CID 55612956) is (E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide is CCS(=O)(=O)c1ccccc1NC(=O)/C=C/c1cc(OC)cc(OC)c1.
What is the InChIKey of (E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide?
The InChIKey is PBLXDQWMDCDYJJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-4-26(22,23)18-8-6-5-7-17(18)20-19(21)10-9-14-11-15(24-2)13-16(12-14)25-3/h5-13H,4H2,1-3H3,(H,20,21)/b10-9+.
What are the key properties of (E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide?
(E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide has a molecular weight of 375.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethoxyphenyl)-N-(2-ethylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 55612956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).