(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide

C18H20N2O2S — CID 2487215

IUPAC(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1cccs1
InChIInChI=1S/C18H20N2O2S/c1-13-6-4-7-14(2)18(13)19-16(21)12-20(3)17(22)10-9-15-8-5-11-23-15/h4-11H,12H2,1-3H3,(H,19,21)/b10-9+
InChIKeyWOVGVEIGWIAITI-MDZDMXLPSA-N
MW328.44 g/mol
LogP3.48
Rot. Bonds5

About (E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 2487215) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
PubChem CID2487215
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1cccs1
InChIInChI=1S/C18H20N2O2S/c1-13-6-4-7-14(2)18(13)19-16(21)12-20(3)17(22)10-9-15-8-5-11-23-15/h4-11H,12H2,1-3H3,(H,19,21)/b10-9+
InChIKeyWOVGVEIGWIAITI-MDZDMXLPSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.48
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-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide (CID 2487215) is (E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is WOVGVEIGWIAITI-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-6-4-7-14(2)18(13)19-16(21)12-20(3)17(22)10-9-15-8-5-11-23-15/h4-11H,12H2,1-3H3,(H,19,21)/b10-9+.
What are the key properties of (E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 328.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2487215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).