(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C19H23NO5S — CID 90499860

IUPAC(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC(C)(O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C19H23NO5S/c1-19(22,16-6-5-9-26-16)12-20-17(21)8-7-13-10-14(23-2)18(25-4)15(11-13)24-3/h5-11,22H,12H2,1-4H3,(H,20,21)/b8-7+
InChIKeyOIYFWNXSDZNITH-BQYQJAHWSA-N
MW377.46 g/mol
LogP2.81
Rot. Bonds8

About (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 90499860) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID90499860
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC(C)(O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C19H23NO5S/c1-19(22,16-6-5-9-26-16)12-20-17(21)8-7-13-10-14(23-2)18(25-4)15(11-13)24-3/h5-11,22H,12H2,1-4H3,(H,20,21)/b8-7+
InChIKeyOIYFWNXSDZNITH-BQYQJAHWSA-N
XLogP2.81
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 96567011
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
(E)-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 95983427
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide
CID 111719972
(E)-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90599191
(E)-4-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)but-2-enamide
CID 146101049
(E)-N-[2-(4-bromophenyl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 52611554
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 71985101
N-(cyanomethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3488907
(E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7762009
(E)-N-[2-(N-methylanilino)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24560393
N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75211078

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 90499860) is (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NCC(C)(O)c2cccs2)cc(OC)c1OC.
What is the InChIKey of (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is OIYFWNXSDZNITH-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-19(22,16-6-5-9-26-16)12-20-17(21)8-7-13-10-14(23-2)18(25-4)15(11-13)24-3/h5-11,22H,12H2,1-4H3,(H,20,21)/b8-7+.
What are the key properties of (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 377.46 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 90499860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).