(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide

C18H20N2O3S — CID 39231083

IUPAC(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOCCNC(=O)Cc1ccc(NC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C18H20N2O3S/c1-23-11-10-19-18(22)13-14-4-6-15(7-5-14)20-17(21)9-8-16-3-2-12-24-16/h2-9,12H,10-11,13H2,1H3,(H,19,22)(H,20,21)/b9-8+
InChIKeyMJMUXWZZKYFGJO-CMDGGOBGSA-N
MW344.44 g/mol
LogP2.71
Rot. Bonds8

About (E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 39231083) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID39231083
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOCCNC(=O)Cc1ccc(NC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C18H20N2O3S/c1-23-11-10-19-18(22)13-14-4-6-15(7-5-14)20-17(21)9-8-16-3-2-12-24-16/h2-9,12H,10-11,13H2,1H3,(H,19,22)(H,20,21)/b9-8+
InChIKeyMJMUXWZZKYFGJO-CMDGGOBGSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 82994511
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 110902147
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
(E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 33099029
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235211
(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235270
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide (CID 39231083) is (E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide is COCCNC(=O)Cc1ccc(NC(=O)/C=C/c2cccs2)cc1.
What is the InChIKey of (E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is MJMUXWZZKYFGJO-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-23-11-10-19-18(22)13-14-4-6-15(7-5-14)20-17(21)9-8-16-3-2-12-24-16/h2-9,12H,10-11,13H2,1H3,(H,19,22)(H,20,21)/b9-8+.
What are the key properties of (E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 344.44 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 39231083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).