(E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide

C19H22N2O2S — CID 25162543

IUPAC(E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-21(14-18(22)20-13-17-5-4-12-24-17)19(23)11-10-16-8-6-15(2)7-9-16/h4-12H,3,13-14H2,1-2H3,(H,20,22)/b11-10+
InChIKeyBUIHIVKUAQKVIP-ZHACJKMWSA-N
MW342.46 g/mol
LogP3.23
Rot. Bonds7

About (E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide

(E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide (PubChem CID 25162543) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide
PubChem CID25162543
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-21(14-18(22)20-13-17-5-4-12-24-17)19(23)11-10-16-8-6-15(2)7-9-16/h4-12H,3,13-14H2,1-2H3,(H,20,22)/b11-10+
InChIKeyBUIHIVKUAQKVIP-ZHACJKMWSA-N
XLogP3.23
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 ≤ 53.23
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

3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4779994
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-[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-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide (CID 25162543) is (E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide is CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1ccc(C)cc1.
What is the InChIKey of (E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide?
The InChIKey is BUIHIVKUAQKVIP-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-21(14-18(22)20-13-17-5-4-12-24-17)19(23)11-10-16-8-6-15(2)7-9-16/h4-12H,3,13-14H2,1-2H3,(H,20,22)/b11-10+.
What are the key properties of (E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide?
(E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide has a molecular weight of 342.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(4-methylphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 25162543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).