(E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide

C19H22N2O2S — CID 2424168

IUPAC(E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1cccs1
InChIInChI=1S/C19H22N2O2S/c1-3-12-21(19(23)11-10-16-8-6-13-24-16)14-18(22)20-17-9-5-4-7-15(17)2/h4-11,13H,3,12,14H2,1-2H3,(H,20,22)/b11-10+
InChIKeyLZHHJVZVZPWTBW-ZHACJKMWSA-N
MW342.46 g/mol
LogP3.95
Rot. Bonds7

About (E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 2424168) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
PubChem CID2424168
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1cccs1
InChIInChI=1S/C19H22N2O2S/c1-3-12-21(19(23)11-10-16-8-6-13-24-16)14-18(22)20-17-9-5-4-7-15(17)2/h4-11,13H,3,12,14H2,1-2H3,(H,20,22)/b11-10+
InChIKeyLZHHJVZVZPWTBW-ZHACJKMWSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide (CID 2424168) is (E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is LZHHJVZVZPWTBW-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-12-21(19(23)11-10-16-8-6-13-24-16)14-18(22)20-17-9-5-4-7-15(17)2/h4-11,13H,3,12,14H2,1-2H3,(H,20,22)/b11-10+.
What are the key properties of (E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 342.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2424168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).