[2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate

C15H11Cl2NO3S — CID 3278809

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate
SMILESO=C(COC(=O)C=Cc1cccs1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2NO3S/c16-11-4-1-5-12(15(11)17)18-13(19)9-21-14(20)7-6-10-3-2-8-22-10/h1-8H,9H2,(H,18,19)
InChIKeyAMVAGYZZXGPXMY-UHFFFAOYSA-N
MW356.23 g/mol
LogP4.25
Rot. Bonds5

About [2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate (PubChem CID 3278809) has the molecular formula C15H11Cl2NO3S and a molecular weight of 356.23 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate
PubChem CID3278809
Molecular FormulaC15H11Cl2NO3S
Molecular Weight356.23 g/mol
Exact Mass354.98
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate
SMILESO=C(COC(=O)C=Cc1cccs1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2NO3S/c16-11-4-1-5-12(15(11)17)18-13(19)9-21-14(20)7-6-10-3-2-8-22-10/h1-8H,9H2,(H,18,19)
InChIKeyAMVAGYZZXGPXMY-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate
CID 4997885
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate
CID 71953929
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8648214
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8653720
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8650393
[2-(2,3-dichloroanilino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 2107873
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8653663
[2-(2,3-dichloroanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 8605177
[2-(2,3-dichloroanilino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 29141588
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2415375
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8649469
[2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8648776

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate (CID 3278809) is [2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate is O=C(COC(=O)C=Cc1cccs1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate?
The InChIKey is AMVAGYZZXGPXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3S/c16-11-4-1-5-12(15(11)17)18-13(19)9-21-14(20)7-6-10-3-2-8-22-10/h1-8H,9H2,(H,18,19).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate has a molecular weight of 356.23 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 3278809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).