[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

C16H15NO4S — CID 2342860

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESCOc1ccccc1NC(=O)COC(=O)/C=C/c1cccs1
InChIInChI=1S/C16H15NO4S/c1-20-14-7-3-2-6-13(14)17-15(18)11-21-16(19)9-8-12-5-4-10-22-12/h2-10H,11H2,1H3,(H,17,18)/b9-8+
InChIKeyBOGUXQRPOYZENQ-CMDGGOBGSA-N
MW317.37 g/mol
LogP2.95
Rot. Bonds6

About [2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 2342860) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID2342860
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESCOc1ccccc1NC(=O)COC(=O)/C=C/c1cccs1
InChIInChI=1S/C16H15NO4S/c1-20-14-7-3-2-6-13(14)17-15(18)11-21-16(19)9-8-12-5-4-10-22-12/h2-10H,11H2,1H3,(H,17,18)/b9-8+
InChIKeyBOGUXQRPOYZENQ-CMDGGOBGSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-thiophen-2-ylprop-2-enamide;oxalic acid
CID 44350653
N-(2-ethoxyphenyl)-2-(thiophen-2-yl)acetamide
CID 670141
2-((3-Methoxyphenyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 2352927
[2-(4-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2380163
N-(2-methoxyphenyl)-2-thiophen-3-ylacetamide
CID 16234675
N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 764595
N-(2-phenoxyphenyl)thiophene-2-carboxamide
CID 729387
N-(2-ethoxyphenyl)-2-(phenylsulfanyl)acetamide
CID 879968
N-(4-{[(4-methoxyphenoxy)acetyl]amino}phenyl)thiophene-2-carboxamide
CID 1077053
N-(2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1247619
N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide
CID 3340619
[2-(2-methoxyanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 4828870

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (CID 2342860) is [2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is COc1ccccc1NC(=O)COC(=O)/C=C/c1cccs1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is BOGUXQRPOYZENQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-20-14-7-3-2-6-13(14)17-15(18)11-21-16(19)9-8-12-5-4-10-22-12/h2-10H,11H2,1H3,(H,17,18)/b9-8+.
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 317.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 2342860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).