(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide

C18H19FN2O2S — CID 2569251

IUPAC(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)/C=C/c1cccs1
InChIInChI=1S/C18H19FN2O2S/c1-2-21(18(23)10-9-16-4-3-11-24-16)13-17(22)20-12-14-5-7-15(19)8-6-14/h3-11H,2,12-13H2,1H3,(H,20,22)/b10-9+
InChIKeyQXOUPLGHVICLCG-MDZDMXLPSA-N
MW346.43 g/mol
LogP3.07
Rot. Bonds7

About (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 2569251) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID2569251
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)/C=C/c1cccs1
InChIInChI=1S/C18H19FN2O2S/c1-2-21(18(23)10-9-16-4-3-11-24-16)13-17(22)20-12-14-5-7-15(19)8-6-14/h3-11H,2,12-13H2,1H3,(H,20,22)/b10-9+
InChIKeyQXOUPLGHVICLCG-MDZDMXLPSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.07
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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Related Compounds

N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
3-(4-Fluorobenzyl)-5-(2-thienylmethylene)-2,4-imidazolidinedione
CID 900263
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
3-(2,4-dimethylphenyl)-N-(2-thienylmethyl)acrylamide
CID 6085579
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 16389189
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide (CID 2569251) is (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is QXOUPLGHVICLCG-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-2-21(18(23)10-9-16-4-3-11-24-16)13-17(22)20-12-14-5-7-15(19)8-6-14/h3-11H,2,12-13H2,1H3,(H,20,22)/b10-9+.
What are the key properties of (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 346.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2569251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).